 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer04_STD_LCPBE_augccpVDZ.in
 Output=22_phenylethanamine_conformer04_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-227063.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    227072.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=22_phenylethanamine_conformer04_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=028200000
 0,3/108=0282000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=282000000,108=282000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:22:07 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "22_phenylethanamine_conformer04_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.015699000000     -1.138132000000     -0.153815000000
  C                                                 0.638227000000     -1.184978000000     -0.311533000000
  C                                                -0.141832000000     -0.032477000000     -0.189620000000
  C                                                 0.500424000000      1.172188000000      0.084373000000
  C                                                 1.881262000000      1.221600000000      0.250761000000
  C                                                 2.644485000000      0.068526000000      0.135177000000
  C                                                -1.649929000000     -0.124479000000     -0.356486000000
  N                                                -2.274918000000      1.199425000000     -0.317152000000
  C                                                -2.260426000000     -1.102776000000      0.659981000000
  H                                                -2.265656000000      1.564094000000      0.630511000000
  H                                                -1.839228000000     -0.517618000000     -1.360895000000
  H                                                -2.090423000000     -0.739339000000      1.676400000000
  H                                                -1.826100000000     -2.100418000000      0.585451000000
  H                                                -3.337367000000     -1.189506000000      0.500207000000
  H                                                -0.079749000000      2.081767000000      0.140221000000
  H                                                 2.359886000000      2.169228000000      0.463823000000
  H                                                 3.718801000000      0.107980000000      0.260806000000
  H                                                 2.599874000000     -2.043659000000     -0.258670000000
  H                                                 0.164968000000     -2.131705000000     -0.542207000000
  H                                                -3.248037000000      1.126363000000     -0.588600000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Mon Aug 16 21:22:07 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.015699   -1.138132   -0.153815
      2          6           0        0.638227   -1.184978   -0.311533
      3          6           0       -0.141832   -0.032477   -0.189620
      4          6           0        0.500424    1.172188    0.084373
      5          6           0        1.881262    1.221600    0.250761
      6          6           0        2.644485    0.068526    0.135177
      7          6           0       -1.649929   -0.124479   -0.356486
      8          7           0       -2.274918    1.199425   -0.317152
      9          6           0       -2.260426   -1.102776    0.659981
     10          1           0       -2.265656    1.564094    0.630511
     11          1           0       -1.839228   -0.517618   -1.360895
     12          1           0       -2.090423   -0.739339    1.676400
     13          1           0       -1.826100   -2.100418    0.585451
     14          1           0       -3.337367   -1.189506    0.500207
     15          1           0       -0.079749    2.081767    0.140221
     16          1           0        2.359886    2.169228    0.463823
     17          1           0        3.718801    0.107980    0.260806
     18          1           0        2.599874   -2.043659   -0.258670
     19          1           0        0.164968   -2.131705   -0.542207
     20          1           0       -3.248037    1.126363   -0.588600
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.387263   0.000000
     3  C    2.424602   1.397002   0.000000
     4  C    2.773152   2.394152   1.392402   0.000000
     5  C    2.397935   2.766393   2.420652   1.391704   0.000000
     6  C    1.391011   2.407466   2.807001   2.411980   1.387605
     7  C    3.808595   2.522367   1.520087   2.549455   3.827530
     8  N    4.888788   3.764548   2.466557   2.804369   4.194860
     9  C    4.353017   3.058232   2.521072   3.623407   4.766945
    10  H    5.123201   4.108209   2.780698   2.846587   4.178330
    11  H    4.086874   2.772059   2.118584   3.227726   4.411843
    12  H    4.513198   3.405290   2.789031   3.591793   4.653172
    13  H    4.028887   2.777682   2.777386   4.046448   4.989224
    14  H    5.393116   4.057621   3.467855   4.525390   5.754107
    15  H    3.852935   3.375084   2.140719   1.080303   2.144218
    16  H    3.382096   3.849154   3.396040   2.143751   1.082809
    17  H    2.150642   3.389579   3.889357   3.394351   2.148674
    18  H    1.082698   2.142005   3.400966   3.855780   3.381988
    19  H    2.136174   1.083271   2.150628   3.379474   3.849561
    20  H    5.746642   4.530134   3.339252   3.808668   5.198394
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.326774   0.000000
     8  N    5.067944   1.464541   0.000000
     9  C    5.070061   1.537198   2.501025   0.000000
    10  H    5.156701   2.050503   1.015448   2.667038   0.000000
    11  H    4.762928   1.095094   2.056079   2.145637   2.912227
    12  H    5.044538   2.169035   2.786951   1.092747   2.535822
    13  H    4.989308   2.196046   3.450376   1.090634   3.691055
    14  H    6.123597   2.171555   2.739318   1.092178   2.957678
    15  H    3.387420   2.753126   2.409665   3.894460   2.299252
    16  H    2.145216   4.691760   4.799151   5.664960   4.667934
    17  H    1.082356   5.409099   6.119637   6.113626   6.170144
    18  H    2.149054   4.664080   5.855306   5.035047   6.122084
    19  H    3.383470   2.712434   4.135229   2.895943   4.576257
    20  H    6.030314   2.042653   1.012908   2.739232   1.625704
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.055719   0.000000
    13  H    2.508723   1.764248   0.000000
    14  H    2.481845   1.772272   1.766623   0.000000
    15  H    3.479356   3.789630   4.553970   4.630647   0.000000
    16  H    5.308606   5.453013   5.980564   6.613706   2.462557
    17  H    5.823485   6.038952   5.977319   7.178460   4.282448
    18  H    4.821756   5.238762   4.506108   6.046181   4.935447
    19  H    2.700431   3.456543   2.288437   3.773687   4.275388
    20  H    2.298664   3.154543   3.716506   2.560611   3.388514
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477218   0.000000
    18  H    4.281122   2.480202   0.000000
    19  H    4.932321   4.276768   2.452940   0.000000
    20  H    5.800342   7.091927   6.660027   4.718661   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.41D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.015699   -1.138132   -0.153815
      2          6           0        0.638227   -1.184978   -0.311533
      3          6           0       -0.141832   -0.032477   -0.189620
      4          6           0        0.500424    1.172188    0.084373
      5          6           0        1.881262    1.221600    0.250761
      6          6           0        2.644485    0.068526    0.135177
      7          6           0       -1.649929   -0.124479   -0.356486
      8          7           0       -2.274918    1.199425   -0.317152
      9          6           0       -2.260426   -1.102776    0.659981
     10          1           0       -2.265656    1.564094    0.630511
     11          1           0       -1.839228   -0.517618   -1.360895
     12          1           0       -2.090423   -0.739339    1.676400
     13          1           0       -1.826100   -2.100418    0.585451
     14          1           0       -3.337367   -1.189506    0.500207
     15          1           0       -0.079749    2.081767    0.140221
     16          1           0        2.359886    2.169228    0.463823
     17          1           0        3.718801    0.107980    0.260806
     18          1           0        2.599874   -2.043659   -0.258670
     19          1           0        0.164968   -2.131705   -0.542207
     20          1           0       -3.248037    1.126363   -0.588600
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4178168           1.1702025           0.9286938
 Leave Link  202 at Mon Aug 16 21:22:07 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 340 were deleted.
 There are   324 symmetry adapted cartesian basis functions of A   symmetry.
 There are   306 symmetry adapted basis functions of A   symmetry.
   306 basis functions,   555 primitive gaussians,   324 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.3718298430 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.282000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.282000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:22:09 2021, MaxMem=  5637144576 cpu:              10.3 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   306 RedAO= T EigKep=  1.69D-06  NBF=   306
 NBsUse=   306 1.00D-06 EigRej= -1.00D+00 NBFU=   306
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   324   324   324   324   324 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Mon Aug 16 21:22:09 2021, MaxMem=  5637144576 cpu:               2.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:22:09 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer04_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:22:10 2021, MaxMem=  5637144576 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636928854 LenY=  5636823437
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -365.060538431295    
 DIIS: error= 4.04D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -365.060538431295     IErMin= 1 ErrMin= 4.04D-03
 ErrMax= 4.04D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.43D-03 BMatP= 9.43D-03
 IDIUse=3 WtCom= 9.60D-01 WtEn= 4.04D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.383 Goal=   None    Shift=    0.000
 GapD=    0.383 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.22D-02 MaxDP=3.15D+00              OVMax= 1.85D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.03D-02    CP:  1.64D+00
 E= -365.069442601220     Delta-E=       -0.008904169925 Rises=F Damp=F
 DIIS: error= 8.42D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -365.069442601220     IErMin= 2 ErrMin= 8.42D-04
 ErrMax= 8.42D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.87D-04 BMatP= 9.43D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.42D-03
 Coeff-Com: -0.161D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.159D-01 0.102D+01
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=9.52D-03 MaxDP=6.10D-01 DE=-8.90D-03 OVMax= 5.41D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.62D-03    CP:  1.75D+00  1.18D+00
 E= -365.069702046280     Delta-E=       -0.000259445060 Rises=F Damp=F
 DIIS: error= 3.72D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -365.069702046280     IErMin= 3 ErrMin= 3.72D-04
 ErrMax= 3.72D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.66D-04 BMatP= 2.87D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.72D-03
 Coeff-Com: -0.299D-01 0.440D+00 0.590D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.298D-01 0.438D+00 0.592D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=1.01D-03 MaxDP=5.97D-02 DE=-2.59D-04 OVMax= 2.66D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.51D-04    CP:  1.76D+00  1.20D+00  1.06D+00
 E= -365.069850734597     Delta-E=       -0.000148688317 Rises=F Damp=F
 DIIS: error= 7.22D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -365.069850734597     IErMin= 4 ErrMin= 7.22D-05
 ErrMax= 7.22D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.03D-06 BMatP= 1.66D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.428D-02-0.151D-01 0.130D+00 0.889D+00
 Coeff:     -0.428D-02-0.151D-01 0.130D+00 0.889D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=4.18D-04 MaxDP=2.57D-02 DE=-1.49D-04 OVMax= 9.98D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.04D-04    CP:  1.77D+00  1.21D+00  1.12D+00  1.23D+00
 E= -365.069859026155     Delta-E=       -0.000008291558 Rises=F Damp=F
 DIIS: error= 4.21D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -365.069859026155     IErMin= 5 ErrMin= 4.21D-05
 ErrMax= 4.21D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-06 BMatP= 7.03D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.105D-02-0.481D-01-0.365D-02 0.349D+00 0.702D+00
 Coeff:      0.105D-02-0.481D-01-0.365D-02 0.349D+00 0.702D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=6.62D-05 MaxDP=3.07D-03 DE=-8.29D-06 OVMax= 4.02D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.24D-05    CP:  1.77D+00  1.21D+00  1.14D+00  1.27D+00  1.28D+00
 E= -365.069860421197     Delta-E=       -0.000001395041 Rises=F Damp=F
 DIIS: error= 8.28D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -365.069860421197     IErMin= 6 ErrMin= 8.28D-06
 ErrMax= 8.28D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.23D-08 BMatP= 1.14D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.648D-03-0.818D-02-0.110D-01-0.567D-02 0.143D+00 0.881D+00
 Coeff:      0.648D-03-0.818D-02-0.110D-01-0.567D-02 0.143D+00 0.881D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=2.95D-05 MaxDP=1.37D-03 DE=-1.40D-06 OVMax= 1.79D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.05D-05    CP:  1.77D+00  1.21D+00  1.14D+00  1.31D+00  1.42D+00
                    CP:  1.18D+00
 E= -365.069860533875     Delta-E=       -0.000000112679 Rises=F Damp=F
 DIIS: error= 3.61D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -365.069860533875     IErMin= 7 ErrMin= 3.61D-06
 ErrMax= 3.61D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-08 BMatP= 5.23D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.143D-03 0.165D-02-0.344D-02-0.372D-01-0.207D-01 0.313D+00
 Coeff-Com:  0.747D+00
 Coeff:      0.143D-03 0.165D-02-0.344D-02-0.372D-01-0.207D-01 0.313D+00
 Coeff:      0.747D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=1.05D-05 MaxDP=5.86D-04 DE=-1.13D-07 OVMax= 7.10D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.56D-06    CP:  1.77D+00  1.21D+00  1.14D+00  1.31D+00  1.45D+00
                    CP:  1.27D+00  1.08D+00
 E= -365.069860552991     Delta-E=       -0.000000019115 Rises=F Damp=F
 DIIS: error= 1.51D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -365.069860552991     IErMin= 8 ErrMin= 1.51D-06
 ErrMax= 1.51D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-09 BMatP= 1.08D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.854D-04 0.231D-02 0.907D-03-0.145D-01-0.369D-01-0.458D-01
 Coeff-Com:  0.298D+00 0.796D+00
 Coeff:     -0.854D-04 0.231D-02 0.907D-03-0.145D-01-0.369D-01-0.458D-01
 Coeff:      0.298D+00 0.796D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=3.90D-06 MaxDP=1.86D-04 DE=-1.91D-08 OVMax= 3.51D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.13D-06    CP:  1.77D+00  1.21D+00  1.14D+00  1.32D+00  1.47D+00
                    CP:  1.30D+00  1.17D+00  1.01D+00
 E= -365.069860556836     Delta-E=       -0.000000003846 Rises=F Damp=F
 DIIS: error= 3.18D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -365.069860556836     IErMin= 9 ErrMin= 3.18D-07
 ErrMax= 3.18D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.25D-11 BMatP= 1.91D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.136D-04-0.408D-04 0.311D-03 0.265D-02 0.407D-03-0.315D-01
 Coeff-Com: -0.495D-01 0.500D-01 0.103D+01
 Coeff:     -0.136D-04-0.408D-04 0.311D-03 0.265D-02 0.407D-03-0.315D-01
 Coeff:     -0.495D-01 0.500D-01 0.103D+01
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=9.90D-07 MaxDP=4.83D-05 DE=-3.85D-09 OVMax= 1.14D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.80D-07    CP:  1.77D+00  1.21D+00  1.14D+00  1.32D+00  1.47D+00
                    CP:  1.30D+00  1.17D+00  1.03D+00  1.16D+00
 E= -365.069860557152     Delta-E=       -0.000000000316 Rises=F Damp=F
 DIIS: error= 1.27D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -365.069860557152     IErMin=10 ErrMin= 1.27D-07
 ErrMax= 1.27D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.09D-11 BMatP= 7.25D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.256D-05-0.246D-03 0.362D-04 0.261D-02 0.385D-02-0.845D-02
 Coeff-Com: -0.488D-01-0.595D-01 0.430D+00 0.680D+00
 Coeff:      0.256D-05-0.246D-03 0.362D-04 0.261D-02 0.385D-02-0.845D-02
 Coeff:     -0.488D-01-0.595D-01 0.430D+00 0.680D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=3.53D-07 MaxDP=1.98D-05 DE=-3.16D-10 OVMax= 2.74D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.25D-07    CP:  1.77D+00  1.21D+00  1.14D+00  1.32D+00  1.47D+00
                    CP:  1.30D+00  1.17D+00  1.04D+00  1.18D+00  9.09D-01
 E= -365.069860557178     Delta-E=       -0.000000000026 Rises=F Damp=F
 DIIS: error= 4.28D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -365.069860557178     IErMin=11 ErrMin= 4.28D-08
 ErrMax= 4.28D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.73D-12 BMatP= 2.09D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.301D-05-0.644D-04-0.417D-04 0.338D-03 0.851D-03 0.240D-02
 Coeff-Com: -0.445D-02-0.249D-01-0.440D-01 0.166D+00 0.904D+00
 Coeff:      0.301D-05-0.644D-04-0.417D-04 0.338D-03 0.851D-03 0.240D-02
 Coeff:     -0.445D-02-0.249D-01-0.440D-01 0.166D+00 0.904D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=1.13D-07 MaxDP=4.98D-06 DE=-2.60D-11 OVMax= 1.47D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.84D-08    CP:  1.77D+00  1.21D+00  1.14D+00  1.32D+00  1.47D+00
                    CP:  1.29D+00  1.17D+00  1.03D+00  1.17D+00  9.97D-01
                    CP:  1.05D+00
 E= -365.069860557162     Delta-E=        0.000000000016 Rises=F Damp=F
 DIIS: error= 1.63D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -365.069860557178     IErMin=12 ErrMin= 1.63D-08
 ErrMax= 1.63D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.34D-13 BMatP= 1.73D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.547D-06 0.871D-05-0.174D-04-0.180D-03-0.228D-03 0.160D-02
 Coeff-Com:  0.434D-02-0.923D-03-0.592D-01-0.342D-01 0.253D+00 0.836D+00
 Coeff:      0.547D-06 0.871D-05-0.174D-04-0.180D-03-0.228D-03 0.160D-02
 Coeff:      0.434D-02-0.923D-03-0.592D-01-0.342D-01 0.253D+00 0.836D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=2.83D-08 MaxDP=9.90D-07 DE= 1.64D-11 OVMax= 4.05D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.30D-08    CP:  1.77D+00  1.21D+00  1.14D+00  1.32D+00  1.47D+00
                    CP:  1.29D+00  1.17D+00  1.03D+00  1.17D+00  1.01D+00
                    CP:  1.12D+00  1.08D+00
 E= -365.069860557168     Delta-E=       -0.000000000006 Rises=F Damp=F
 DIIS: error= 9.27D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -365.069860557178     IErMin=13 ErrMin= 9.27D-09
 ErrMax= 9.27D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.81D-14 BMatP= 2.34D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.139D-06 0.120D-04-0.257D-05-0.118D-03-0.214D-03 0.351D-03
 Coeff-Com:  0.245D-02 0.283D-02-0.191D-01-0.374D-01-0.123D-01 0.353D+00
 Coeff-Com:  0.710D+00
 Coeff:     -0.139D-06 0.120D-04-0.257D-05-0.118D-03-0.214D-03 0.351D-03
 Coeff:      0.245D-02 0.283D-02-0.191D-01-0.374D-01-0.123D-01 0.353D+00
 Coeff:      0.710D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=1.39D-08 MaxDP=7.50D-07 DE=-6.48D-12 OVMax= 1.58D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  4.92D-09    CP:  1.77D+00  1.21D+00  1.14D+00  1.32D+00  1.47D+00
                    CP:  1.29D+00  1.17D+00  1.03D+00  1.16D+00  1.00D+00
                    CP:  1.13D+00  1.14D+00  9.72D-01
 E= -365.069860557214     Delta-E=       -0.000000000045 Rises=F Damp=F
 DIIS: error= 3.06D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -365.069860557214     IErMin=14 ErrMin= 3.06D-09
 ErrMax= 3.06D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.37D-15 BMatP= 4.81D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.100D-06 0.665D-06 0.187D-05 0.751D-05 0.501D-06-0.168D-03
 Coeff-Com: -0.225D-03 0.571D-03 0.560D-02-0.225D-03-0.343D-01-0.748D-01
 Coeff-Com:  0.900D-01 0.101D+01
 Coeff:     -0.100D-06 0.665D-06 0.187D-05 0.751D-05 0.501D-06-0.168D-03
 Coeff:     -0.225D-03 0.571D-03 0.560D-02-0.225D-03-0.343D-01-0.748D-01
 Coeff:      0.900D-01 0.101D+01
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=7.00D-09 MaxDP=3.95D-07 DE=-4.54D-11 OVMax= 7.99D-08

 SCF Done:  E(RLC-PBE+HF-PBE) =  -365.069860557     A.U. after   14 cycles
            NFock= 14  Conv=0.70D-08     -V/T= 2.0048
 KE= 3.633367110763D+02 PE=-1.699235284921D+03 EE= 5.454568834446D+02
 Leave Link  502 at Mon Aug 16 21:24:27 2021, MaxMem=  5637144576 cpu:            1095.1 elap:             137.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   306
 NBasis=   306 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    306 NOA=    33 NOB=    33 NVA=   273 NVB=   273

 **** Warning!!: The largest alpha MO coefficient is  0.13654212D+03

 Leave Link  801 at Mon Aug 16 21:24:27 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6185 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.50D-13 8.33D-09 XBig12= 1.00D+00 3.24D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.50D-13 8.33D-09 XBig12= 2.10D-01 5.65D-02.
     11 vectors produced by pass  2 Test12= 1.50D-13 8.33D-09 XBig12= 4.02D-02 5.04D-02.
     11 vectors produced by pass  3 Test12= 1.50D-13 8.33D-09 XBig12= 3.54D-03 1.22D-02.
     11 vectors produced by pass  4 Test12= 1.50D-13 8.33D-09 XBig12= 2.62D-04 2.25D-03.
     11 vectors produced by pass  5 Test12= 1.50D-13 8.33D-09 XBig12= 1.24D-05 3.97D-04.
     11 vectors produced by pass  6 Test12= 1.50D-13 8.33D-09 XBig12= 6.07D-07 1.17D-04.
     11 vectors produced by pass  7 Test12= 1.50D-13 8.33D-09 XBig12= 1.95D-08 2.71D-05.
     11 vectors produced by pass  8 Test12= 1.50D-13 8.33D-09 XBig12= 5.54D-10 4.20D-06.
     11 vectors produced by pass  9 Test12= 1.50D-13 8.33D-09 XBig12= 1.27D-11 7.02D-07.
      8 vectors produced by pass 10 Test12= 1.50D-13 8.33D-09 XBig12= 3.04D-13 1.14D-07.
      2 vectors produced by pass 11 Test12= 1.50D-13 8.33D-09 XBig12= 1.53D-14 2.43D-08.
      1 vectors produced by pass 12 Test12= 1.50D-13 8.33D-09 XBig12= 5.78D-15 1.44D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.49D-14
 Solved reduced A of dimension   121 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.137050D+03
      2  0.878972D+00  0.113028D+03
      3  0.223294D+01  0.397096D+01  0.756087D+02
 Isotropic polarizability for W=    0.085645      108.56 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.639416D+02  0.234178D+01  0.871670D+01
      2  -0.263693D+02 -0.612053D+01 -0.130038D+02
      3  -0.375723D+02  0.377875D+01  0.428709D+01
      4  -0.137917D+02  0.483436D+02  0.278960D+02
      5   0.209267D+02  0.296122D+02 -0.237680D+02
      6   0.933081D+01  0.581753D+01 -0.674383D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.577469D+00 -0.235327D+00  0.234813D+01
      2   0.124338D+02  0.120449D+02 -0.928625D+01
      3   0.910952D+00 -0.291298D+02 -0.123722D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.171622D+01  0.188213D+02  0.105226D+02
      2  -0.122100D+02  0.185651D+02  0.138044D+02
      3  -0.161335D+02 -0.747129D+02 -0.202814D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.265414D+00 -0.222319D+01 -0.151614D+01
      2  -0.222319D+01 -0.183352D+01  0.199045D+01
      3  -0.151614D+01  0.199045D+01  0.663360D+00
 OR G Eigenvalues:    -3.4877    -1.0301     3.6130  Iso=     0.3016
 Eigenvectors:
   (1)   0.407973   0.872373  -0.269301
   (2)   0.682967  -0.095857   0.724132
   (3)  -0.605899   0.479350   0.634909
 w=    0.085645 a.u., Optical Rotation Beta=      0.3016 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =      118.03 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   46971 ScalPx= 2.17D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.58D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.50D-14 2.78D-09 XBig12= 1.00D+00 3.64D-01.
     30 vectors produced by pass  1 Test12= 2.50D-14 2.78D-09 XBig12= 4.18D-02 2.60D-02.
     30 vectors produced by pass  2 Test12= 2.50D-14 2.78D-09 XBig12= 1.34D-03 5.56D-03.
     30 vectors produced by pass  3 Test12= 2.50D-14 2.78D-09 XBig12= 1.98D-05 7.83D-04.
     30 vectors produced by pass  4 Test12= 2.50D-14 2.78D-09 XBig12= 3.10D-07 8.93D-05.
     30 vectors produced by pass  5 Test12= 2.50D-14 2.78D-09 XBig12= 3.94D-09 1.06D-05.
     30 vectors produced by pass  6 Test12= 2.50D-14 2.78D-09 XBig12= 3.71D-11 1.20D-06.
     30 vectors produced by pass  7 Test12= 2.50D-14 2.78D-09 XBig12= 3.77D-13 6.88D-08.
      9 vectors produced by pass  8 Test12= 2.50D-14 2.78D-09 XBig12= 4.85D-15 1.07D-08.
      3 vectors produced by pass  9 Test12= 2.50D-14 2.78D-09 XBig12= 6.43D-16 3.78D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   252 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 7.99D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 7.99D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.38D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.137050D+03  0.878972D+00  0.223294D+01
      2   0.878972D+00  0.113028D+03  0.397096D+01
      3   0.223294D+01  0.397096D+01  0.756087D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.577469D+00 -0.235327D+00  0.234813D+01
      2   0.124338D+02  0.120449D+02 -0.928625D+01
      3   0.910952D+00 -0.291298D+02 -0.123722D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.639416D+02  0.234178D+01  0.871670D+01
      2  -0.263693D+02 -0.612053D+01 -0.130038D+02
      3  -0.375723D+02  0.377875D+01  0.428709D+01
      4  -0.137917D+02  0.483436D+02  0.278960D+02
      5   0.209267D+02  0.296122D+02 -0.237680D+02
      6   0.933081D+01  0.581753D+01 -0.674383D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.273151D+01 -0.328611D+00 -0.514619D+00 -0.578404D+01 -0.384634D+00
      2  -0.328611D+00  0.269783D+01  0.796956D+00 -0.384634D+00 -0.769811D+00
      3  -0.514619D+00  0.796956D+00  0.153080D+01 -0.857181D+00  0.979749D+00
                 6             7             8             9            10 
      1  -0.857181D+00 -0.200084D+01 -0.225196D+00  0.288797D+01  0.365842D+01
      2   0.979749D+00 -0.225196D+00  0.145864D+01 -0.338371D+01  0.192060D+01
      3  -0.216646D+01  0.288797D+01 -0.338371D+01 -0.118474D+01  0.642395D+00
                11            12            13            14            15 
      1   0.192060D+01  0.642395D+00 -0.686441D+01 -0.733277D+00  0.174147D+00
      2  -0.314302D+01  0.159164D+00 -0.733277D+00 -0.161164D+01  0.872831D+00
      3   0.159164D+00 -0.130885D+01  0.174147D+00  0.872831D+00 -0.133270D+01
                16            17            18            19            20 
      1   0.483751D-01  0.880549D+00 -0.820652D+00 -0.178531D+02 -0.254075D+01
      2   0.880549D+00  0.476573D+00 -0.321045D+01 -0.254075D+01 -0.251610D+01
      3  -0.820652D+00 -0.321045D+01 -0.216726D+01 -0.808253D+00 -0.263730D+00
                21            22            23            24            25 
      1  -0.808253D+00 -0.337892D+01  0.149849D+01  0.972064D+00 -0.798373D+00
      2  -0.263730D+00  0.149849D+01  0.125313D-01  0.216037D-01  0.873189D+00
      3  -0.191922D+01  0.972064D+00  0.216037D-01 -0.449415D+00 -0.367277D+01
                26            27            28            29            30 
      1   0.873189D+00 -0.367277D+01  0.436957D+01 -0.835761D+00  0.357408D+00
      2   0.108806D+00 -0.511290D+00 -0.835761D+00 -0.339019D+01 -0.836569D+00
      3  -0.511290D+00 -0.139243D+01  0.357408D+00 -0.836569D+00 -0.197097D+01
                31            32            33            34            35 
      1   0.818709D+01 -0.418504D-01  0.126248D+00  0.271812D+01 -0.180637D+00
      2  -0.418504D-01  0.181845D+01 -0.435546D+00 -0.180637D+00 -0.963532D+00
      3   0.126248D+00 -0.435546D+00  0.172247D+01 -0.165352D+01  0.333090D+01
                36            37            38            39            40 
      1  -0.165352D+01 -0.349404D+01 -0.151958D+00 -0.541045D+00  0.523423D+01
      2   0.333090D+01 -0.151958D+00  0.284525D+01 -0.183752D+00  0.462191D-01
      3   0.920024D+00 -0.541045D+00 -0.183752D+00  0.946083D+00 -0.179257D+00
                41            42            43            44            45 
      1   0.462191D-01 -0.179257D+00  0.166423D+00 -0.911386D+00  0.225217D+01
      2   0.108739D+01 -0.855900D+00 -0.911386D+00 -0.806855D+00  0.379539D+01
      3  -0.855900D+00  0.207545D+01  0.225217D+01  0.379539D+01  0.234477D+01
                46            47            48            49            50 
      1   0.603667D+01  0.303963D+00 -0.590458D+00  0.935109D+00 -0.777674D+00
      2   0.303963D+00  0.307434D+01  0.515979D-01 -0.777674D+00 -0.106936D+00
      3  -0.590458D+00  0.515979D-01  0.279979D+01 -0.116000D+01 -0.305772D+00
                51            52            53            54            55 
      1  -0.116000D+01 -0.295142D+00 -0.109145D+01  0.532913D+01  0.399078D+01
      2  -0.305772D+00 -0.109145D+01  0.286991D+00  0.844590D-01  0.192551D+01
      3  -0.732587D-01  0.532913D+01  0.844590D-01  0.127728D+01  0.210187D+00
                56            57            58            59            60 
      1   0.192551D+01  0.210187D+00  0.663013D+01  0.415570D+01 -0.987422D+00
      2   0.291023D+01 -0.147033D+01  0.415570D+01  0.903767D+00 -0.141958D+00
      3  -0.147033D+01  0.189432D+01 -0.987422D+00 -0.141958D+00  0.387774D+01
                61            62            63            64            65 
      1   0.446014D+00 -0.159116D+01  0.341707D+01  0.749579D+01  0.473631D+00
      2  -0.159116D+01 -0.199071D+01  0.405459D+01  0.473631D+00 -0.130173D+01
      3   0.341707D+01  0.405459D+01  0.521802D+01  0.105986D+01  0.120897D+01
                66            67            68            69            70 
      1   0.105986D+01 -0.721426D-01 -0.200339D+01  0.162527D+01  0.129365D+01
      2   0.120897D+01 -0.200339D+01  0.231091D+01 -0.126772D+01  0.145716D+01
      3  -0.138551D+00  0.162527D+01 -0.126772D+01 -0.225170D+01  0.505935D-01
                71            72            73            74            75 
      1   0.145716D+01  0.505935D-01  0.864976D+01  0.959407D+00  0.156747D+01
      2  -0.102976D+01 -0.150318D+01  0.959407D+00 -0.372606D+01  0.121329D+01
      3  -0.150318D+01 -0.474362D+01  0.156747D+01  0.121329D+01 -0.171574D+01
                76            77            78            79            80 
      1  -0.258618D+01 -0.383109D+01  0.159809D+01  0.451892D+01  0.213961D+01
      2  -0.383109D+01  0.323125D+01  0.510551D+00  0.213961D+01  0.201749D+01
      3   0.159809D+01  0.510551D+00 -0.304679D+01 -0.186069D+01 -0.313152D+01
                81            82            83            84            85 
      1  -0.186069D+01  0.160825D+00  0.386873D+00  0.370420D+00  0.137247D+01
      2  -0.313152D+01  0.386873D+00  0.830549D-01 -0.268588D+00 -0.769935D+00
      3  -0.449716D+01  0.370420D+00 -0.268588D+00  0.427054D+00 -0.793437D+00
                86            87            88            89            90 
      1  -0.769935D+00 -0.793437D+00  0.220815D+01 -0.113276D+01 -0.108053D+01
      2   0.221497D+01  0.930435D+00 -0.113276D+01  0.241357D+01  0.250900D+01
      3   0.930435D+00  0.271197D+01 -0.108053D+01  0.250900D+01  0.479839D+01
                91            92            93            94            95 
      1  -0.185842D+01 -0.688470D+00 -0.156423D+01 -0.266073D+01 -0.160075D+01
      2  -0.688470D+00 -0.748568D+00 -0.207441D+00 -0.160075D+01 -0.132527D+01
      3  -0.156423D+01 -0.207441D+00 -0.140085D+01 -0.547813D+00 -0.141576D+01
                96            97            98            99           100 
      1  -0.547813D+00 -0.428599D+01 -0.509060D+00 -0.279009D+01 -0.365798D+00
      2  -0.141576D+01 -0.509060D+00 -0.155337D+01 -0.194433D+01  0.237517D-01
      3  -0.222142D+01 -0.279009D+01 -0.194433D+01 -0.725275D+01  0.594868D+00
               101           102           103           104           105 
      1   0.237517D-01  0.594868D+00  0.102547D+01  0.196412D+00 -0.512830D+00
      2   0.597390D+00 -0.145267D+00  0.196412D+00  0.346513D+00  0.899527D+00
      3  -0.145267D+00  0.105100D+01 -0.512830D+00  0.899527D+00  0.220383D+01
               106           107           108           109           110 
      1   0.131163D+01  0.127922D+00 -0.563517D+00  0.913742D+00 -0.776961D+00
      2   0.127922D+00  0.143725D+01  0.440291D+00 -0.776961D+00  0.206408D+01
      3  -0.563517D+00  0.440291D+00  0.717079D+01 -0.356934D+00 -0.482489D+00
               111           112           113           114           115 
      1  -0.356934D+00 -0.199940D+01  0.668461D+00  0.116647D+00 -0.664262D+00
      2  -0.482489D+00  0.668461D+00 -0.819063D+01  0.761464D+00 -0.300226D+00
      3   0.690437D+00  0.116647D+00  0.761464D+00 -0.123794D+01  0.254039D+00
               116           117           118           119           120 
      1  -0.300226D+00  0.254039D+00 -0.126265D+02 -0.242503D+01  0.723151D-01
      2  -0.178137D+00 -0.662693D+00 -0.242503D+01 -0.154682D+01  0.162357D+00
      3  -0.662693D+00  0.429003D+00  0.723151D-01  0.162357D+00 -0.128721D+01
               121           122           123           124           125 
      1  -0.628178D+00 -0.108938D+01 -0.205566D+00 -0.223024D+01 -0.461486D+00
      2  -0.108938D+01 -0.103640D+01 -0.467443D-01 -0.461486D+00 -0.653861D+00
      3  -0.205566D+00 -0.467443D-01  0.183164D+00 -0.101787D+01 -0.137843D-01
               126           127           128           129           130 
      1  -0.101787D+01 -0.321943D+01  0.201250D+01 -0.120868D+00  0.245251D+01
      2  -0.137843D-01  0.201250D+01 -0.218778D+01 -0.209979D+00 -0.252040D+01
      3   0.748563D-01 -0.120868D+00 -0.209979D+00 -0.176354D+00 -0.216570D+00
               131           132           133           134           135 
      1  -0.252040D+01 -0.216570D+00 -0.330405D+00 -0.772369D-01  0.164575D-01
      2   0.666796D+01  0.471180D+00 -0.772369D-01  0.429742D+00  0.122159D+00
      3   0.471180D+00  0.872581D+00  0.164575D-01  0.122159D+00 -0.438755D-01
               136           137           138           139           140 
      1   0.290908D+01  0.294937D+01  0.717607D+00  0.283756D+01  0.406772D+01
      2   0.294937D+01  0.314309D+01  0.720434D+00  0.406772D+01  0.855923D+01
      3   0.717607D+00  0.720434D+00  0.620324D+00  0.817416D+00  0.159849D+01
               141           142           143           144           145 
      1   0.817416D+00  0.781573D+00  0.975467D+00  0.289836D+00  0.132352D+02
      2   0.159849D+01  0.975467D+00  0.177701D+01  0.367108D+00  0.379363D+00
      3   0.122744D+01  0.289836D+00  0.367108D+00  0.280260D+00  0.127064D+01
               146           147           148           149           150 
      1   0.379363D+00  0.127064D+01  0.296705D+00  0.156688D+01  0.323172D+00
      2   0.866869D+00  0.127875D-01  0.156688D+01  0.138843D+00  0.159109D+00
      3   0.127875D-01  0.112575D+01  0.323172D+00  0.159109D+00  0.990741D-01
               151           152           153           154           155 
      1   0.148566D+01  0.342791D+00  0.937208D-01  0.401487D+01 -0.348989D+01
      2   0.342791D+00  0.103601D+00  0.284169D-01 -0.348989D+01  0.351286D+01
      3   0.937208D-01  0.284169D-01  0.139313D+00 -0.328050D+00  0.269564D+00
               156           157           158           159           160 
      1  -0.328050D+00 -0.347135D+01  0.442639D+01  0.626952D+00 -0.295595D+00
      2   0.269564D+00  0.442639D+01 -0.748738D+01 -0.873568D+00  0.439898D+00
      3   0.568149D+00  0.626952D+00 -0.873568D+00 -0.954722D+00  0.747023D-01
               161           162           163           164           165 
      1   0.439898D+00  0.747023D-01 -0.212459D+01 -0.185947D+01 -0.386117D+00
      2  -0.101475D+01 -0.224097D+00 -0.185947D+01 -0.202064D+01 -0.615074D+00
      3  -0.224097D+00 -0.163412D+00 -0.386117D+00 -0.615074D+00 -0.428540D+00
               166           167           168           169           170 
      1  -0.198954D+01 -0.231569D+01 -0.489630D+00 -0.576779D+00 -0.740154D+00
      2  -0.231569D+01 -0.719618D+01 -0.163182D+01 -0.740154D+00 -0.169785D+01
      3  -0.489630D+00 -0.163182D+01 -0.124650D+01 -0.153780D+00 -0.519564D+00
               171           172           173           174           175 
      1  -0.153780D+00 -0.111613D+02  0.176193D+01 -0.165261D+01  0.463614D+00
      2  -0.519564D+00  0.176193D+01 -0.121409D+01  0.881007D-01 -0.558190D+00
      3  -0.421808D+00 -0.165261D+01  0.881007D-01 -0.130742D+01 -0.430300D+00
               176           177           178           179           180 
      1  -0.558190D+00 -0.430300D+00 -0.350088D+01 -0.158415D-01 -0.105228D+01
      2   0.432454D+00 -0.230160D+00 -0.158415D-01 -0.620844D+00  0.372309D+00
      3  -0.230160D+00  0.719024D-02 -0.105228D+01  0.372309D+00 -0.785650D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.112864D+01 -0.323095D+00  0.279684D+01 -0.129773D+01  0.321433D+00
      2  -0.750685D+00  0.243823D+01  0.198694D+01 -0.887135D+00  0.318665D+01
      3  -0.150035D+01 -0.134549D+02 -0.235639D+01  0.433724D+01 -0.969802D+00
                 6             7             8             9            10 
      1  -0.242954D+01  0.669163D+01  0.279429D+01  0.101814D+01  0.105151D+00
      2  -0.569595D+01 -0.549393D+01 -0.100547D+02 -0.359203D+01  0.312160D+01
      3  -0.219064D+01 -0.116825D+00 -0.445823D+01  0.399006D+01  0.711727D-01
                11            12            13            14            15 
      1   0.991587D+00 -0.239849D+01  0.115181D+01 -0.813673D+00 -0.253223D+01
      2   0.141450D+01 -0.108506D+01  0.129152D+01 -0.143908D+01 -0.143645D+01
      3  -0.115445D+01 -0.153507D+01  0.868849D+00  0.769705D+01  0.131106D+00
                16            17            18            19            20 
      1  -0.555754D+01  0.216640D+01 -0.754839D+00  0.740589D+00 -0.649955D+00
      2  -0.135268D+02 -0.118531D+01 -0.253934D+01  0.199089D-01 -0.141534D+01
      3  -0.485031D+01 -0.206652D+00  0.580503D+01 -0.699161D+01  0.767631D+01
                21            22            23            24            25 
      1  -0.771673D+00 -0.281225D+01 -0.145559D+01  0.133862D+01  0.121390D+01
      2  -0.187587D+01 -0.162237D+01  0.536900D+00  0.696781D+00 -0.134144D+02
      3   0.465374D+00  0.157390D+02  0.261501D+00  0.452690D+00  0.519580D-01
                26            27            28            29            30 
      1   0.103287D+02  0.207671D+01 -0.935490D+00 -0.236922D+00  0.306641D+01
      2   0.672886D+00 -0.641731D+00  0.222267D+01 -0.155616D+00 -0.938941D+00
      3   0.283031D+01 -0.853660D+00  0.659916D+01 -0.626138D+00  0.161092D+01
                31            32            33            34            35 
      1  -0.912187D+00 -0.126187D+00 -0.234874D+01  0.493681D+01  0.222764D+01
      2   0.364098D+01  0.121503D+01  0.759057D+00 -0.131835D+02  0.385498D+00
      3   0.619787D+01 -0.603618D+01  0.971995D-01  0.214933D+01 -0.113281D+00
                36            37            38            39            40 
      1  -0.380009D-01  0.889340D+00  0.602540D+00 -0.175077D+01  0.103050D+01
      2  -0.334753D+00 -0.174657D-01  0.112084D+01 -0.513855D-01  0.813002D+00
      3  -0.517103D+01 -0.326337D+01 -0.100219D+02 -0.205891D+01  0.552667D+01
                41            42            43            44            45 
      1   0.103324D-01 -0.295263D+01 -0.549067D+01  0.187966D+01 -0.114843D+01
      2  -0.282456D+01  0.592743D+01 -0.755767D+01  0.960290D+01  0.349211D+01
      3  -0.221734D+01  0.172949D+01 -0.520414D+00  0.117788D+01 -0.509393D+01
                46            47            48            49            50 
      1   0.170389D+00 -0.842891D+00 -0.580871D+00 -0.132117D+01 -0.265183D+01
      2  -0.246915D+00 -0.225149D+00  0.830819D+01 -0.346337D+01 -0.306240D+00
      3   0.536548D+00 -0.740002D+01  0.341726D+00  0.114003D+02  0.336161D+01
                51            52            53            54            55 
      1   0.251760D+01 -0.947827D+00  0.110823D+02  0.247013D+01 -0.194002D+01
      2  -0.591264D+00  0.851060D+01  0.447002D+00  0.269264D+01  0.145357D+01
      3   0.184898D+01  0.316768D+01  0.123157D+01  0.994241D+00  0.693403D+01
                56            57            58            59            60 
      1   0.276866D-01 -0.773344D-01 -0.216987D+01 -0.112811D+01  0.167649D+01
      2   0.262561D+01 -0.189362D+01  0.358428D+01  0.183302D+01 -0.549718D+01
      3   0.286478D+01 -0.180586D+01  0.119691D+02 -0.454241D+01  0.130701D+01
                61            62            63            64            65 
      1   0.410507D+01  0.677143D+01 -0.771923D+00 -0.267594D+01 -0.185582D+01
      2  -0.121927D+02 -0.801393D+01 -0.793305D+01  0.318668D+00 -0.199245D+01
      3  -0.111041D+01 -0.538036D+01  0.830360D+01  0.171347D+02 -0.878677D+01
                66            67            68            69            70 
      1   0.621506D+00 -0.122320D+01 -0.967412D+00 -0.181272D+00 -0.437943D+01
      2   0.440404D+01 -0.223198D+01  0.214938D+01  0.519873D+01 -0.367806D+01
      3   0.525892D+01  0.269500D+01  0.488171D+01 -0.204568D+01  0.515787D+01
                71            72            73            74            75 
      1   0.810383D+01  0.954200D+01  0.436930D+01 -0.202981D+01 -0.215449D+01
      2   0.594414D+01  0.105724D+02 -0.111968D+02 -0.491771D+01  0.631948D+01
      3  -0.985701D+00 -0.465082D+01 -0.899261D+01 -0.162792D+02  0.888633D+00
                76            77            78            79            80 
      1   0.437588D-01  0.904623D+01 -0.743830D+01 -0.117715D+01 -0.279043D+01
      2  -0.626114D+01  0.523977D+00  0.658884D+01  0.121957D+01  0.679168D+01
      3  -0.973976D+01  0.186211D+02 -0.416250D+00  0.161160D+01  0.158654D+01
                81            82            83            84            85 
      1  -0.778044D+01 -0.371423D+00  0.628195D+00 -0.628313D+00  0.158783D+01
      2   0.126033D+02 -0.159796D+01  0.944896D+00 -0.639522D+00  0.192397D+01
      3  -0.655815D+01  0.236851D+01  0.473303D+00 -0.170412D+00  0.118203D+01
                86            87            88            89            90 
      1  -0.217062D+01 -0.620492D+01  0.282284D+01 -0.281362D+01 -0.110201D+02
      2  -0.250724D+01 -0.705982D+01  0.512108D-01 -0.666893D+01 -0.112535D+02
      3   0.448585D+01  0.142753D+01  0.115992D+01  0.627376D+01  0.602611D+01
                91            92            93            94            95 
      1  -0.916849D+00  0.121628D+01 -0.464160D+00  0.128446D+01  0.705056D+00
      2   0.157444D+01  0.428552D+00  0.289412D+01 -0.413616D+00  0.133441D+01
      3  -0.167842D+01 -0.383693D+01 -0.376693D+00 -0.148062D+01 -0.157204D+01
                96            97            98            99           100 
      1  -0.139799D+01 -0.133327D+01  0.207411D+01 -0.127358D+01  0.695217D+00
      2   0.396271D+01  0.656455D+00  0.314688D+01  0.116834D+02 -0.181897D+01
      3  -0.318235D+01  0.161119D+00 -0.328272D+01 -0.428808D+01  0.559151D+00
               101           102           103           104           105 
      1   0.103185D+01  0.112343D+01  0.100978D+00  0.219850D+01  0.205444D+01
      2   0.823996D-01 -0.217240D+01 -0.258872D+00 -0.239454D+01 -0.523712D+01
      3   0.112489D+01 -0.681014D+00  0.123513D+01  0.619548D+00  0.225963D+01
               106           107           108           109           110 
      1  -0.407010D+00  0.489162D+01  0.102491D+02 -0.198130D+01  0.169129D+01
      2  -0.310646D+01 -0.179540D+01 -0.175106D+02 -0.194695D+00  0.154868D+01
      3  -0.129530D+01  0.378210D+01  0.208926D+01 -0.704122D+01  0.722874D+01
               111           112           113           114           115 
      1   0.169950D+01  0.174765D+01 -0.607119D+01 -0.367739D+01  0.804591D+00
      2  -0.111180D+01  0.145998D+01 -0.288012D+01  0.219867D+01 -0.151199D+01
      3  -0.206876D-01  0.971891D+01 -0.225955D+02  0.144351D+01  0.130703D+01
               116           117           118           119           120 
      1  -0.119934D+00  0.522625D+00 -0.498716D+00 -0.851326D+00 -0.216248D+01
      2   0.113112D+01 -0.899986D+00  0.725098D+01  0.739746D+00  0.692955D+01
      3  -0.638446D+00 -0.211626D+01  0.100344D+02 -0.497911D+01  0.673206D+00
               121           122           123           124           125 
      1  -0.386958D+00 -0.769051D+00 -0.420487D+00 -0.122523D+01  0.749918D+00
      2   0.138670D+01  0.542221D+00 -0.271072D+00  0.192069D+01 -0.212127D+00
      3   0.274343D+00 -0.216746D+01 -0.223318D+00  0.543148D+00 -0.131773D+01
               126           127           128           129           130 
      1  -0.208908D-01  0.107455D+01 -0.291006D+00  0.152885D+01  0.234623D-02
      2   0.219845D+00  0.153672D+01 -0.275088D-01 -0.229752D+00 -0.472943D+00
      3   0.131827D+01 -0.105119D+02  0.440353D+01 -0.538061D+00  0.851978D+01
               131           132           133           134           135 
      1  -0.560416D-01 -0.354702D+01 -0.374154D+00  0.185790D+01  0.213607D+00
      2   0.782598D+00 -0.764742D+00 -0.150958D+01  0.402016D+00 -0.107753D+00
      3  -0.627133D+01 -0.713232D+00 -0.731132D+00  0.713993D-01 -0.129781D-01
               136           137           138           139           140 
      1  -0.245922D+00  0.147264D-01 -0.202762D+01 -0.129038D+00  0.479379D+00
      2   0.538524D+00  0.852194D+00  0.223336D+01  0.666121D+00  0.254117D+01
      3  -0.106566D+01 -0.352483D+01 -0.521054D+00 -0.183494D+01 -0.130369D+02
               141           142           143           144           145 
      1  -0.423969D+01  0.578173D+00  0.198702D+01 -0.567595D+00 -0.112224D+00
      2   0.367107D+01 -0.607128D+00 -0.153461D+00  0.646865D+00  0.186403D+01
      3  -0.217968D+01 -0.292458D+00 -0.250799D+01 -0.275635D+00  0.334297D+00
               146           147           148           149           150 
      1   0.435059D+00 -0.223872D+00  0.202848D+00 -0.189708D-01 -0.351003D+00
      2  -0.128114D+00  0.677500D+01  0.125495D+01  0.328605D+00  0.398866D+00
      3  -0.560773D+01  0.226865D+00 -0.367365D+01 -0.223855D+00 -0.367692D+00
               151           152           153           154           155 
      1   0.332107D-01  0.568093D+00  0.730005D-02  0.246125D+00 -0.610959D+00
      2  -0.271841D+01  0.437384D-01  0.584962D+00  0.267442D+00 -0.321018D+00
      3  -0.119604D+01 -0.546297D+00 -0.253204D+00  0.124717D+01 -0.481448D+01
               156           157           158           159           160 
      1   0.219791D+01  0.250224D+00  0.231280D+00 -0.383158D+01 -0.856667D+00
      2   0.249553D+01  0.455208D+00 -0.953505D+00 -0.343138D+01 -0.805867D+00
      3  -0.381733D-01 -0.291643D+01  0.121438D+02  0.101983D+01 -0.603874D+00
               161           162           163           164           165 
      1   0.164667D+01 -0.299634D+00  0.757154D+00  0.391982D+00 -0.168806D+01
      2   0.552952D+00 -0.347247D+00 -0.160047D+01 -0.880324D+00  0.166555D+00
      3   0.193403D+01  0.268411D+00  0.789673D+01  0.419166D+01  0.664723D+00
               166           167           168           169           170 
      1   0.708510D+00  0.101326D+01 -0.383150D+01  0.378996D+00  0.237832D+01
      2  -0.166494D+01 -0.160125D+01  0.385936D+00 -0.191415D+01 -0.529464D+00
      3   0.808643D+01  0.794403D+01  0.180895D+01  0.150188D+01  0.237178D+01
               171           172           173           174           175 
      1  -0.516913D+00  0.175872D+01  0.660583D+00  0.189370D+01  0.102470D+01
      2   0.172321D+00 -0.162780D+01 -0.147047D+00  0.529024D+01  0.799645D+00
      3   0.282027D+00 -0.131112D+02 -0.399197D+01 -0.201428D+01  0.420292D+00
               176           177           178           179           180 
      1   0.237846D+00 -0.750423D-02  0.624195D+00  0.731322D+00  0.790197D-01
      2  -0.674094D-01  0.196890D+00  0.336601D+00 -0.947023D+00  0.137505D+01
      3   0.561020D-01 -0.109002D+01 -0.609478D+01 -0.182196D+01  0.196747D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.208179D+01  0.223908D+02  0.478720D+01 -0.250889D+02  0.667146D+01
      2  -0.423947D+01 -0.131973D+02  0.331238D+00  0.247507D+02 -0.113465D+02
      3   0.215768D+01 -0.919347D+01 -0.511843D+01  0.338148D+00  0.467506D+01
      4   0.187026D+02  0.254535D+01  0.469355D+01  0.656606D+01  0.119703D+02
      5   0.526001D+00  0.432305D+01  0.426485D+01 -0.292206D+01  0.753422D+01
      6   0.241956D+01 -0.255729D+01 -0.652534D+01  0.620576D+01 -0.545784D+01
                 6             7             8             9            10 
      1   0.138402D+01 -0.765753D+01  0.618494D+01  0.287350D+00  0.865212D+01
      2  -0.138303D+01  0.858859D+01 -0.840001D+01 -0.698222D+01 -0.685567D+01
      3  -0.992620D-03 -0.931059D+00  0.221507D+01  0.669487D+01 -0.179646D+01
      4   0.826219D+01  0.228360D+01  0.701290D+01 -0.147445D+02 -0.118237D+02
      5  -0.118804D+02  0.187104D+02 -0.148440D+02 -0.769838D+01 -0.549514D+00
      6   0.593449D+01 -0.732316D+01  0.132808D+02 -0.444117D+00 -0.276585D+01
                11            12            13            14            15 
      1  -0.134163D+02  0.353485D-01  0.253635D+01  0.713340D+01  0.462314D+01
      2   0.100493D+02 -0.154217D+01 -0.907030D+01 -0.993870D+01 -0.563744D+01
      3   0.336702D+01  0.150682D+01  0.653395D+01  0.280530D+01  0.101429D+01
      4  -0.169043D+02 -0.422270D+01  0.107850D+02 -0.124578D+02 -0.154807D+01
      5  -0.411974D+01 -0.414759D+01  0.100583D+01 -0.169198D+01 -0.106268D+01
      6  -0.241801D+01  0.526488D+01 -0.471168D+01 -0.861936D+01  0.314700D+01
                16            17            18            19            20 
      1   0.216389D+01  0.135512D+01 -0.154713D+02 -0.221270D+02 -0.332158D+00
      2  -0.405638D+01 -0.672768D+01  0.750017D+00  0.756616D+01  0.608595D+00
      3   0.189248D+01  0.537257D+01  0.147213D+02  0.145609D+02 -0.276437D+00
      4   0.207397D+00 -0.392459D+01 -0.599208D+01  0.124454D+02  0.204647D+01
      5  -0.140944D+00 -0.529928D+01 -0.554249D+01  0.110876D+01  0.672633D+00
      6   0.333785D+01  0.118587D+02  0.425730D+01 -0.825835D+00 -0.226179D+00
                21            22            23            24            25 
      1   0.690719D+00  0.204159D+00 -0.638758D+01  0.408322D+00 -0.844049D+01
      2  -0.905407D+00 -0.149921D+01  0.124987D+02  0.352903D+01  0.203431D+01
      3   0.214689D+00  0.129506D+01 -0.611114D+01 -0.393735D+01  0.640618D+01
      4   0.110184D+01 -0.885636D+01 -0.293377D+01 -0.148038D+01 -0.284796D+01
      5  -0.111103D+01 -0.334851D+01 -0.737910D+00  0.168513D+01  0.347063D+01
      6   0.544040D-01 -0.239121D+01  0.219869D+01 -0.261626D+01 -0.122515D+01
                26            27            28            29            30 
      1  -0.922155D+00 -0.931553D+01  0.625512D+01  0.158909D+02  0.503207D+01
      2   0.154743D+01 -0.325843D+01 -0.569943D+01 -0.110389D+02 -0.117479D+01
      3  -0.625276D+00  0.125740D+02 -0.555693D+00 -0.485196D+01 -0.385727D+01
      4  -0.335567D+01  0.252088D+01  0.683012D+01 -0.106489D+02 -0.524032D-01
      5   0.194687D+01 -0.511538D+00  0.175603D+01 -0.217436D+00 -0.126907D+01
      6   0.555983D+01 -0.250029D+01  0.285640D+01 -0.272649D+01 -0.618538D+01
                31            32            33            34            35 
      1  -0.125626D+01  0.223186D+01  0.222033D+01  0.668100D-01  0.329901D+01
      2   0.978144D+01 -0.651120D+01 -0.195436D+01  0.239333D+01 -0.511797D+01
      3  -0.852517D+01  0.427934D+01 -0.265969D+00 -0.246014D+01  0.181896D+01
      4   0.411277D+01  0.137769D+02  0.184232D+01  0.582086D+00 -0.196281D+01
      5   0.138801D+01  0.165687D+01  0.472501D+00  0.344924D+01  0.376070D+01
      6   0.507221D+01 -0.304150D+01  0.597165D+01 -0.245111D+01  0.135179D+02
                36            37            38            39            40 
      1  -0.148235D+02  0.286069D+01 -0.211481D+02 -0.228052D+01  0.244732D+02
      2   0.241485D+01 -0.246149D+01  0.135173D+02  0.945468D+00 -0.234196D+02
      3   0.124086D+02 -0.399197D+00  0.763079D+01  0.133505D+01 -0.105362D+01
      4   0.338551D+01 -0.125044D+02 -0.535121D+01 -0.478746D+01  0.743841D+01
      5  -0.121495D+01 -0.408255D+01 -0.460584D+01 -0.197129D+01 -0.950831D+00
      6   0.541934D+00 -0.518902D+01 -0.205809D+01  0.445362D+01 -0.496282D+01
                41            42            43            44            45 
      1   0.104648D+02  0.192574D+01  0.220504D+01 -0.295747D+01 -0.487569D+01
      2  -0.144223D+02 -0.569586D+01 -0.608938D+01 -0.469655D+01 -0.524610D+01
      3   0.395749D+01  0.377012D+01  0.388434D+01  0.765402D+01  0.101218D+02
      4  -0.445081D+01 -0.576443D+01 -0.518698D+01 -0.931538D+01  0.148986D+02
      5  -0.573571D+01  0.124326D+02  0.141050D+02  0.152123D+02  0.729194D+01
      6  -0.876288D+01  0.531419D+01  0.603283D+01  0.141666D+02  0.339894D+01
                46            47            48            49            50 
      1  -0.959473D+01 -0.810230D+00 -0.701925D+01  0.413364D+01 -0.208445D+02
      2   0.537784D+01  0.692868D+00  0.382131D+01 -0.250145D+01  0.187054D+02
      3   0.421689D+01  0.117362D+00  0.319795D+01 -0.163219D+01  0.213913D+01
      4  -0.123060D+01  0.231333D+02  0.410639D+00 -0.212548D+02 -0.641253D+01
      5  -0.853715D+01  0.268536D+00  0.185464D+02 -0.102646D+02 -0.263745D+01
      6   0.700507D+00  0.746202D+00  0.130564D+01 -0.264868D+01  0.377094D+01
                51            52            53            54            55 
      1  -0.602570D+01 -0.856244D+01 -0.655244D+01  0.138359D+02  0.160706D+02
      2   0.887531D+01  0.293563D+01  0.512635D+01 -0.178966D+02 -0.623741D+01
      3  -0.284961D+01  0.562682D+01  0.142610D+01  0.406069D+01 -0.983316D+01
      4  -0.339210D+01 -0.113184D+02  0.733170D+00 -0.536132D+00 -0.692075D+01
      5  -0.117714D+01  0.357782D+02  0.112701D+00  0.582448D+01 -0.115195D+01
      6  -0.513204D+01  0.193943D+00  0.597661D+01 -0.386783D+01  0.482850D+00
                56            57            58            59            60 
      1  -0.255697D+00 -0.206038D+00  0.163548D+01 -0.609239D+01 -0.327371D-01
      2   0.373286D+01  0.177088D+00  0.511107D+01  0.270438D+01 -0.502737D+00
      3  -0.347716D+01  0.289499D-01 -0.674655D+01  0.338801D+01  0.535474D+00
      4  -0.180590D+02  0.556395D+01 -0.273516D+02 -0.256177D+01  0.235556D+01
      5   0.617064D+01 -0.118088D+02  0.866751D+01  0.122880D+01 -0.159037D+02
      6   0.855372D+00 -0.668492D+00  0.388779D+01  0.722858D+01 -0.113556D+02
                61            62            63            64            65 
      1   0.109590D+02  0.682871D+01 -0.555270D+00 -0.374808D+02  0.629256D+01
      2   0.304884D+01  0.962387D+00  0.873437D+01  0.233302D+02 -0.752567D+01
      3  -0.140078D+02 -0.779110D+01 -0.817910D+01  0.141506D+02  0.123311D+01
      4   0.114193D+02  0.119343D+02 -0.216948D+02  0.863994D+01  0.130930D+02
      5  -0.181082D+02 -0.199521D+02 -0.207485D+02 -0.116761D+02 -0.590724D+01
      6  -0.109427D+02 -0.313754D+01 -0.586769D+01  0.227267D+01  0.433654D+01
                66            67            68            69            70 
      1  -0.105996D+02  0.438282D+00 -0.262381D+01 -0.140594D+01 -0.100247D+02
      2   0.711649D+01 -0.426812D+01  0.156671D+02 -0.339387D+00  0.784670D+01
      3   0.348314D+01  0.382984D+01 -0.130432D+02  0.174532D+01  0.217803D+01
      4  -0.473574D+01  0.184231D+02 -0.160173D+02  0.738892D+01 -0.729035D+01
      5   0.559245D+01 -0.117096D+02  0.681557D+01  0.961547D+01  0.328947D+01
      6  -0.248556D+01  0.302196D+01 -0.848942D+01  0.221009D+01  0.226923D+01
                71            72            73            74            75 
      1   0.367748D+00 -0.101567D+01 -0.539918D+02 -0.165956D+02 -0.185347D+01
      2  -0.737897D+00 -0.742271D+01  0.222691D+02  0.152650D+02  0.379158D+01
      3   0.370149D+00  0.843838D+01  0.317227D+02  0.133062D+01 -0.193811D+01
      4   0.756150D+01  0.796281D+01 -0.190861D+02  0.154912D+02 -0.650455D+01
      5   0.748748D+01  0.222468D+02 -0.233363D+01 -0.389497D+01  0.105996D+02
      6  -0.943853D+00 -0.160327D+02 -0.449657D+01 -0.531635D+01  0.383923D+01
                76            77            78            79            80 
      1  -0.775655D+01  0.194209D+02  0.275840D+01 -0.110581D+02 -0.163287D-01
      2   0.705664D+01 -0.220606D+02  0.620288D+01  0.472296D+01  0.258489D+01
      3   0.699912D+00  0.263966D+01 -0.896128D+01  0.633516D+01 -0.256856D+01
      4   0.186644D+02 -0.695952D+01 -0.352689D+01 -0.150028D+02 -0.101717D+02
      5  -0.869327D+01 -0.632786D+01  0.145185D+02  0.134316D+02  0.163591D+02
      6  -0.553900D+01 -0.438185D+01  0.837758D+01  0.765237D+01  0.828949D+01
                81            82            83            84            85 
      1   0.116733D+02  0.115223D+01 -0.306655D+01 -0.184311D+01 -0.574534D+01
      2   0.871197D+01 -0.240632D+00  0.760875D+00  0.455697D-01  0.183408D+01
      3  -0.203853D+02 -0.911596D+00  0.230567D+01  0.179754D+01  0.391126D+01
      4   0.196750D+02 -0.329767D+01  0.755157D+00  0.265547D+01  0.680279D+01
      5   0.168125D+02 -0.216408D+01  0.201196D+01 -0.419819D+00  0.477494D+01
      6   0.637100D+00  0.152043D+01 -0.116410D+01  0.873894D+00 -0.262774D+01
                86            87            88            89            90 
      1  -0.318429D+01  0.741949D+00 -0.804664D+01 -0.126256D+01 -0.558904D+01
      2   0.457567D+01  0.161124D+01  0.361239D+01  0.302325D+01  0.211948D+01
      3  -0.139138D+01 -0.235319D+01  0.443425D+01 -0.176069D+01  0.346956D+01
      4  -0.108240D+02 -0.579964D+01  0.908750D+01 -0.125898D+02 -0.122977D+02
      5  -0.483504D+01 -0.138769D+02  0.717567D+01 -0.125293D+02 -0.233425D+02
      6   0.417579D+01  0.113415D+02 -0.375718D+01  0.107068D+02  0.156483D+02
                91            92            93            94            95 
      1   0.521115D+01  0.126788D+01  0.402108D+01  0.980697D+00 -0.258715D+01
      2  -0.644193D+01 -0.121285D+01 -0.418418D+01 -0.246548D+01 -0.149486D+00
      3   0.123078D+01 -0.550291D-01  0.163099D+00  0.148478D+01  0.273663D+01
      4   0.427060D+01  0.715455D+01  0.227743D+01  0.992974D+01  0.608934D+01
      5   0.906365D+01  0.237252D+01  0.124338D+02  0.356719D+01  0.595907D+01
      6   0.293456D+01  0.410173D-01  0.173257D+01  0.194214D+01  0.443765D+01
                96            97            98            99           100 
      1  -0.271834D+01  0.314596D+01 -0.327554D+01 -0.104957D+02  0.366032D+01
      2  -0.681671D+00 -0.871627D+01 -0.226972D+01 -0.143509D+02 -0.369247D+01
      3   0.340001D+01  0.557031D+01  0.554526D+01  0.248466D+02  0.321500D-01
      4   0.630265D+01  0.329993D+01  0.719079D+01  0.914641D+01  0.131067D+01
      5   0.944662D+01  0.183191D+02  0.869581D+01  0.308111D+02 -0.228084D+01
      6   0.968165D+01  0.475846D+01  0.693599D+01  0.111690D+02  0.852208D-01
               101           102           103           104           105 
      1   0.180049D+01 -0.600919D+01 -0.219178D+01 -0.401065D+01 -0.229012D+01
      2  -0.183950D+01  0.495853D+00  0.204950D+01  0.970681D+00 -0.566006D+01
      3   0.390142D-01  0.551333D+01  0.142282D+00  0.303997D+01  0.795018D+01
      4  -0.177505D+01 -0.448045D+00 -0.308086D+00 -0.268916D+01 -0.436361D+01
      5   0.770164D+00  0.208844D+00  0.418437D+01 -0.319568D+01 -0.981709D+01
      6   0.175401D+01 -0.132295D+01  0.370196D-01  0.207962D+01  0.285187D+01
               106           107           108           109           110 
      1  -0.644503D+01 -0.142748D+00 -0.166332D+02 -0.247978D+01  0.928286D+01
      2   0.444969D+01 -0.412208D+01 -0.168983D+02  0.475073D+01 -0.106596D+02
      3   0.199534D+01  0.426482D+01  0.335315D+02 -0.227095D+01  0.137669D+01
      4  -0.288798D+01 -0.730437D+01 -0.444713D+01  0.421609D+00 -0.414843D+01
      5   0.800774D+01 -0.218217D+01 -0.299338D+02  0.205662D+01  0.956514D-01
      6   0.812027D+00  0.427883D+01 -0.938842D+01  0.226133D+00  0.261230D+01
               111           112           113           114           115 
      1  -0.673199D+00  0.102668D+02 -0.266691D+02  0.258746D+01  0.151647D+01
      2  -0.217441D+00 -0.767124D+01  0.402573D+02 -0.125163D+01 -0.831593D+00
      3   0.890641D+00 -0.259559D+01 -0.135882D+02 -0.133583D+01 -0.684879D+00
      4   0.165667D+01  0.452637D+01  0.310081D+02 -0.316580D+01  0.232969D+01
      5  -0.232186D+01 -0.321963D+01 -0.986574D+00  0.461995D+01  0.216103D+00
      6  -0.274988D+01  0.632837D+00 -0.874993D+01  0.704908D+01 -0.157349D+01
               116           117           118           119           120 
      1   0.101235D+01 -0.530297D+01  0.781753D+02  0.108584D+02  0.234991D+01
      2   0.452436D+00  0.268536D+01 -0.366837D+02 -0.201464D+01  0.514907D+00
      3  -0.146479D+01  0.261761D+01 -0.414916D+02 -0.884378D+01 -0.286482D+01
      4   0.149397D+01  0.123776D+01  0.335071D+02  0.173033D+02 -0.224107D+00
      5   0.185190D+01 -0.123324D+01 -0.934450D+01 -0.204334D+01  0.112806D+02
      6   0.644040D+01 -0.110625D+01 -0.594612D+00 -0.171563D+01  0.399523D+01
               121           122           123           124           125 
      1   0.222060D+01  0.460192D+01  0.246454D+00  0.102316D+02  0.766842D+00
      2   0.160832D+01  0.100524D+01 -0.535256D+00 -0.438172D+01  0.357664D+00
      3  -0.382892D+01 -0.560715D+01  0.288802D+00 -0.584988D+01 -0.112451D+01
      4   0.124328D+02  0.769872D+01  0.392913D+00  0.448675D+01  0.384670D+01
      5   0.301228D+00 -0.239202D+00 -0.416810D+00  0.952454D+01  0.736783D+00
      6  -0.989625D+00 -0.530080D+00  0.940770D+00  0.316347D+01  0.102922D+01
               126           127           128           129           130 
      1   0.530302D+01 -0.337238D+01  0.647905D+01  0.116499D+01  0.731454D+01
      2  -0.502861D+01  0.549983D+01 -0.933728D+01 -0.883320D+00 -0.102113D+02
      3  -0.274409D+00 -0.212745D+01  0.285823D+01 -0.281672D+00  0.289676D+01
      4   0.155122D+01 -0.791007D+01  0.581715D+01  0.728573D+00  0.696549D+01
      5   0.196458D+00 -0.476459D-01  0.107885D+01  0.402060D+00  0.914760D+00
      6   0.521434D+00 -0.733102D+00 -0.498973D+00 -0.151433D+01 -0.823425D+00
               131           132           133           134           135 
      1  -0.241342D+02 -0.222634D+01  0.374730D+00 -0.141139D+01 -0.677750D+00
      2   0.325985D+02  0.173431D+01 -0.832484D+00  0.204734D+01  0.134596D+01
      3  -0.846431D+01  0.492031D+00  0.457754D+00 -0.635940D+00 -0.668214D+00
      4  -0.582276D+01 -0.386150D+00  0.373680D-01 -0.118422D+00 -0.133554D+01
      5  -0.901338D+00 -0.101802D+01  0.790732D+00 -0.712882D+00 -0.213783D+00
      6   0.258293D+01  0.567026D+01 -0.656375D+00  0.182447D+01  0.242183D+00
               136           137           138           139           140 
      1   0.873592D+01  0.640314D+01  0.111074D+01  0.165836D+01 -0.103014D+02
      2   0.181800D+01  0.444562D+01  0.839622D-01  0.102204D+02  0.312084D+02
      3  -0.105539D+02 -0.108488D+02 -0.119471D+01 -0.118788D+02 -0.209070D+02
      4   0.225782D+02  0.256969D+02  0.516947D+01  0.279051D+02  0.472154D+02
      5   0.479282D+01  0.492068D+01  0.551394D+01  0.521890D+01  0.789963D+01
      6   0.353647D+01  0.400976D+01  0.334044D+01  0.498920D+01  0.102928D+02
               141           142           143           144           145 
      1  -0.213941D+01  0.110879D+01 -0.124562D+01 -0.963569D+00  0.999696D+02
      2   0.366364D+01  0.141634D+01  0.495937D+01  0.188447D+01 -0.575055D+02
      3  -0.152422D+01 -0.252513D+01 -0.371375D+01 -0.920898D+00 -0.424640D+02
      4   0.849171D+01  0.690289D+01  0.101653D+02  0.334283D+01  0.407005D+01
      5   0.644190D+01  0.243961D+01  0.267739D+01  0.217006D+01  0.119482D+02
      6   0.844167D+01  0.212584D+01  0.392264D+01  0.276970D+01 -0.193166D+01
               146           147           148           149           150 
      1   0.279290D+01  0.788444D+01  0.168990D+01  0.909102D+01  0.131671D+01
      2  -0.134992D+01 -0.554823D+01 -0.775064D+00 -0.443969D+01 -0.120631D+01
      3  -0.144298D+01 -0.233621D+01 -0.914836D+00 -0.465133D+01 -0.110404D+00
      4   0.931562D+01  0.521181D-01  0.147029D+02  0.118112D+01  0.131591D+01
      5   0.774326D-01  0.117461D+02  0.265928D+01  0.136226D+01  0.687510D+00
      6   0.593120D+00  0.101942D-01  0.994699D+00 -0.150723D+00  0.164225D+01
               151           152           153           154           155 
      1   0.105591D+02  0.154930D+01  0.326764D+01  0.158036D+02 -0.100373D+02
      2  -0.626558D+01 -0.101038D+01 -0.207360D+01 -0.815554D+00 -0.350563D+01
      3  -0.429352D+01 -0.538921D+00 -0.119404D+01 -0.149881D+02  0.135429D+02
      4   0.278731D+01  0.120639D+01  0.561338D+00 -0.287220D+02  0.293379D+02
      5   0.307368D+01  0.362744D+00  0.208259D+01 -0.364487D+01  0.262524D+01
      6   0.628711D-01  0.724445D+00  0.362245D+00  0.119939D+01 -0.100080D+01
               156           157           158           159           160 
      1  -0.138673D+01 -0.614053D+01 -0.191775D+01 -0.600943D-01  0.382734D+00
      2   0.400375D+00 -0.841318D+01  0.232420D+02  0.107949D+01 -0.147613D+01
      3   0.986352D+00  0.145537D+02 -0.213242D+02 -0.101940D+01  0.109340D+01
      4   0.239204D+01  0.324346D+02 -0.467700D+02 -0.536675D+01  0.312079D+01
      5   0.537531D+01  0.465901D+01 -0.606348D+01 -0.596874D+01  0.198383D+01
      6  -0.303739D+01 -0.296994D+01  0.459131D+01  0.655712D+01 -0.137722D+01
               161           162           163           164           165 
      1  -0.123617D+01 -0.481762D+00 -0.480213D+01 -0.746062D+01 -0.292638D+01
      2   0.311577D+01  0.127216D+01  0.586123D+01  0.872614D+01  0.180816D+01
      3  -0.187960D+01 -0.790399D+00 -0.105911D+01 -0.126552D+01  0.111822D+01
      4  -0.514306D+01 -0.254149D+01  0.524467D+01  0.657316D+01  0.119902D+01
      5  -0.165835D+01 -0.849065D+00  0.381148D+00  0.863735D+00  0.153824D+01
      6   0.240770D+01  0.138767D+01  0.242441D+01  0.402663D+01  0.279073D+01
               166           167           168           169           170 
      1  -0.786346D+01 -0.280476D+02 -0.730086D+01 -0.226376D+01 -0.627840D+01
      2   0.965505D+01  0.355964D+02  0.617799D+01  0.240004D+01  0.716296D+01
      3  -0.179159D+01 -0.754883D+01  0.112287D+01 -0.136280D+00 -0.884565D+00
      4   0.611847D+01  0.180643D+01 -0.324404D-01  0.168258D+01  0.903055D+00
      5   0.589735D+00 -0.661436D+00  0.274355D+00  0.121913D+01  0.553356D+00
      6   0.309330D+01  0.112666D+02  0.835081D+01  0.126032D+01  0.445084D+01
               171           172           173           174           175 
      1  -0.292098D+01  0.679542D+02 -0.916440D+01  0.106983D+02 -0.209526D+01
      2   0.270376D+01 -0.369668D+02  0.329674D+01 -0.656508D+01 -0.600334D+00
      3   0.217215D+00 -0.309874D+02  0.586766D+01 -0.413318D+01  0.269559D+01
      4   0.181161D+01 -0.256467D+02  0.116520D+02 -0.295481D+01  0.701338D+01
      5   0.102646D+01  0.164125D+02 -0.149154D+01  0.111560D+02  0.317773D+01
      6   0.316448D+01 -0.412194D+01  0.706967D+00 -0.317150D+01  0.201425D-01
               176           177           178           179           180 
      1   0.183284D+01  0.333970D+01  0.182960D+02  0.128950D+01  0.434885D+01
      2   0.543042D+00 -0.273154D+01 -0.122879D+02 -0.904855D+00 -0.387077D+01
      3  -0.237589D+01 -0.608159D+00 -0.600809D+01 -0.384643D+00 -0.478086D+00
      4  -0.196802D+01  0.707022D+00 -0.369265D+01  0.183771D+01 -0.250469D+01
      5   0.155725D+01  0.926923D+00  0.103149D+02 -0.170006D+01  0.505874D+01
      6  -0.470365D+00  0.123066D+01 -0.148383D+01  0.173840D+01 -0.921959D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 21:51:47 2021, MaxMem=  5637144576 cpu:           13088.2 elap:            1640.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.12650 -10.07011 -10.04348 -10.03569 -10.03429
 Alpha  occ. eigenvalues --  -10.03423 -10.03322 -10.03011 -10.02606  -0.98668
 Alpha  occ. eigenvalues --   -0.94271  -0.85676  -0.83497  -0.81065  -0.72596
 Alpha  occ. eigenvalues --   -0.69554  -0.66677  -0.62036  -0.58517  -0.55456
 Alpha  occ. eigenvalues --   -0.53624  -0.52188  -0.51056  -0.50553  -0.49942
 Alpha  occ. eigenvalues --   -0.47518  -0.46227  -0.44536  -0.41885  -0.41313
 Alpha  occ. eigenvalues --   -0.34384  -0.33847  -0.32924
 Alpha virt. eigenvalues --    0.02837   0.03578   0.03905   0.04665   0.05195
 Alpha virt. eigenvalues --    0.05243   0.05480   0.06016   0.06639   0.07307
 Alpha virt. eigenvalues --    0.07548   0.07952   0.09491   0.10828   0.11626
 Alpha virt. eigenvalues --    0.12485   0.13128   0.13495   0.13591   0.14289
 Alpha virt. eigenvalues --    0.14631   0.14733   0.14837   0.15739   0.15795
 Alpha virt. eigenvalues --    0.16346   0.17027   0.17136   0.17448   0.18166
 Alpha virt. eigenvalues --    0.18643   0.19421   0.19853   0.20072   0.20656
 Alpha virt. eigenvalues --    0.21345   0.22142   0.22645   0.23039   0.24396
 Alpha virt. eigenvalues --    0.24649   0.25200   0.25861   0.26110   0.27145
 Alpha virt. eigenvalues --    0.27921   0.28526   0.29359   0.29795   0.30305
 Alpha virt. eigenvalues --    0.30574   0.31247   0.31712   0.31922   0.32179
 Alpha virt. eigenvalues --    0.33024   0.33468   0.33823   0.35054   0.35247
 Alpha virt. eigenvalues --    0.36904   0.37786   0.38125   0.38500   0.39320
 Alpha virt. eigenvalues --    0.39883   0.40364   0.41349   0.41578   0.42263
 Alpha virt. eigenvalues --    0.43696   0.44238   0.44905   0.45544   0.46385
 Alpha virt. eigenvalues --    0.47402   0.47818   0.48217   0.49199   0.49655
 Alpha virt. eigenvalues --    0.51404   0.51719   0.51841   0.52972   0.53908
 Alpha virt. eigenvalues --    0.54202   0.54507   0.55030   0.56295   0.56872
 Alpha virt. eigenvalues --    0.57500   0.58900   0.59281   0.60257   0.60631
 Alpha virt. eigenvalues --    0.61530   0.62112   0.62651   0.63485   0.63626
 Alpha virt. eigenvalues --    0.63825   0.64529   0.64996   0.66204   0.66399
 Alpha virt. eigenvalues --    0.67133   0.67781   0.68342   0.69020   0.69895
 Alpha virt. eigenvalues --    0.70857   0.71600   0.72219   0.72949   0.73203
 Alpha virt. eigenvalues --    0.73728   0.73890   0.74981   0.75338   0.76897
 Alpha virt. eigenvalues --    0.78045   0.78501   0.80017   0.80414   0.81578
 Alpha virt. eigenvalues --    0.82694   0.83444   0.83862   0.84713   0.85283
 Alpha virt. eigenvalues --    0.85351   0.86266   0.87135   0.88055   0.88661
 Alpha virt. eigenvalues --    0.88969   0.90210   0.90765   0.92812   0.93583
 Alpha virt. eigenvalues --    0.94598   0.96737   0.98341   0.99971   1.00718
 Alpha virt. eigenvalues --    1.02489   1.03282   1.04156   1.05446   1.05775
 Alpha virt. eigenvalues --    1.07456   1.08031   1.09267   1.12614   1.14063
 Alpha virt. eigenvalues --    1.16122   1.16697   1.17648   1.20944   1.23278
 Alpha virt. eigenvalues --    1.24854   1.31312   1.31802   1.37092   1.37509
 Alpha virt. eigenvalues --    1.38445   1.39145   1.41056   1.43286   1.44132
 Alpha virt. eigenvalues --    1.45109   1.47721   1.47884   1.48780   1.50473
 Alpha virt. eigenvalues --    1.51179   1.52859   1.54257   1.54760   1.56600
 Alpha virt. eigenvalues --    1.57517   1.58224   1.58990   1.60217   1.61295
 Alpha virt. eigenvalues --    1.62473   1.63972   1.65342   1.67671   1.68515
 Alpha virt. eigenvalues --    1.70623   1.71352   1.74283   1.74615   1.75447
 Alpha virt. eigenvalues --    1.77729   1.78509   1.80179   1.80840   1.81659
 Alpha virt. eigenvalues --    1.82302   1.84400   1.84929   1.85598   1.88184
 Alpha virt. eigenvalues --    1.90109   1.90762   1.92215   1.93442   1.95139
 Alpha virt. eigenvalues --    1.95479   1.95856   1.98100   1.99620   2.01995
 Alpha virt. eigenvalues --    2.03115   2.04387   2.05161   2.06534   2.08412
 Alpha virt. eigenvalues --    2.09999   2.11055   2.12723   2.14608   2.15331
 Alpha virt. eigenvalues --    2.17029   2.18382   2.20430   2.20590   2.21968
 Alpha virt. eigenvalues --    2.22421   2.24699   2.26774   2.30822   2.31692
 Alpha virt. eigenvalues --    2.33622   2.37123   2.37657   2.39330   2.42272
 Alpha virt. eigenvalues --    2.43667   2.46743   2.48444   2.50418   2.55488
 Alpha virt. eigenvalues --    2.56666   2.59028   2.60068   2.61402   2.63132
 Alpha virt. eigenvalues --    2.64594   2.69382   2.71384   2.74131   2.75046
 Alpha virt. eigenvalues --    2.81236   2.82847   2.85836   2.88665   2.91869
 Alpha virt. eigenvalues --    2.95022   2.98517   3.05223   3.09595   3.12689
 Alpha virt. eigenvalues --    3.16022   3.20968   3.26357   3.41707   3.51244
 Alpha virt. eigenvalues --    3.60618   3.63052   4.56819
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   14.455896  -5.914902   3.384144  -5.797715   5.333033  -5.085730
     2  C   -5.914902  24.602418 -10.049836   2.092874  -5.649959   4.362972
     3  C    3.384144 -10.049836  19.899914  -8.116150   3.687055  -4.920802
     4  C   -5.797715   2.092874  -8.116150  22.623992  -7.969743   4.675912
     5  C    5.333033  -5.649959   3.687055  -7.969743  16.372385  -5.190714
     6  C   -5.085730   4.362972  -4.920802   4.675912  -5.190714  12.255358
     7  C   -0.165414  -2.592583   0.011394  -1.315936   0.004301  -0.035165
     8  N   -0.087134   0.107393  -0.259327   0.235686  -0.224691   0.057512
     9  C    0.127181  -0.346959  -0.012571  -0.186822   0.077312  -0.073323
    10  H    0.001664  -0.036146  -0.003449   0.068812   0.060944  -0.001791
    11  H   -0.025618   0.038758   0.067343   0.102022   0.003787   0.015196
    12  H   -0.040861   0.021241  -0.143216   0.129989   0.002273   0.011321
    13  H   -0.035834  -0.184643  -0.145184   0.005155   0.023139  -0.015819
    14  H    0.051441   0.060137   0.218941  -0.157107  -0.015121  -0.002634
    15  H    0.208685  -0.318202   0.668384  -2.366778   0.933367  -0.279794
    16  H   -0.449357   0.216664  -0.292622   1.349493  -1.833022   0.521406
    17  H    0.662723  -0.198221   0.127833  -0.251284   0.638560  -1.363272
    18  H   -1.528436   1.039619  -0.439063   0.219992  -0.377236   0.634249
    19  H    0.799970  -1.983633   0.650783  -0.248346   0.144917  -0.243634
    20  H    0.004703  -0.016407   0.133172  -0.071369   0.003118  -0.003798
               7          8          9         10         11         12
     1  C   -0.165414  -0.087134   0.127181   0.001664  -0.025618  -0.040861
     2  C   -2.592583   0.107393  -0.346959  -0.036146   0.038758   0.021241
     3  C    0.011394  -0.259327  -0.012571  -0.003449   0.067343  -0.143216
     4  C   -1.315936   0.235686  -0.186822   0.068812   0.102022   0.129989
     5  C    0.004301  -0.224691   0.077312   0.060944   0.003787   0.002273
     6  C   -0.035165   0.057512  -0.073323  -0.001791   0.015196   0.011321
     7  C    9.859036   0.270087   0.547777  -0.141949  -0.537828  -0.167889
     8  N    0.270087   6.511058  -0.083732   0.336893  -0.019011  -0.009268
     9  C    0.547777  -0.083732   4.326276  -0.062523  -0.045141   0.357875
    10  H   -0.141949   0.336893  -0.062523   0.845041   0.029527  -0.002494
    11  H   -0.537828  -0.019011  -0.045141   0.029527   1.741678   0.080340
    12  H   -0.167889  -0.009268   0.357875  -0.002494   0.080340   1.553108
    13  H    0.395399  -0.025676   0.205080   0.008039  -0.069338  -0.220435
    14  H   -0.026166  -0.014494   0.170197  -0.012910  -0.040669  -0.374660
    15  H    0.253378  -0.205832   0.022019  -0.015183   0.018887  -0.001790
    16  H    0.016001   0.003317   0.000787  -0.000434  -0.001502  -0.000369
    17  H   -0.016594   0.001874   0.000339   0.000196   0.000898   0.000363
    18  H    0.033968  -0.002019  -0.003960   0.000145   0.000313   0.000244
    19  H   -0.206273   0.000868   0.068673   0.000884   0.007761  -0.001104
    20  H   -0.097389   0.305725  -0.012687  -0.096858  -0.039018  -0.005727
              13         14         15         16         17         18
     1  C   -0.035834   0.051441   0.208685  -0.449357   0.662723  -1.528436
     2  C   -0.184643   0.060137  -0.318202   0.216664  -0.198221   1.039619
     3  C   -0.145184   0.218941   0.668384  -0.292622   0.127833  -0.439063
     4  C    0.005155  -0.157107  -2.366778   1.349493  -0.251284   0.219992
     5  C    0.023139  -0.015121   0.933367  -1.833022   0.638560  -0.377236
     6  C   -0.015819  -0.002634  -0.279794   0.521406  -1.363272   0.634249
     7  C    0.395399  -0.026166   0.253378   0.016001  -0.016594   0.033968
     8  N   -0.025676  -0.014494  -0.205832   0.003317   0.001874  -0.002019
     9  C    0.205080   0.170197   0.022019   0.000787   0.000339  -0.003960
    10  H    0.008039  -0.012910  -0.015183  -0.000434   0.000196   0.000145
    11  H   -0.069338  -0.040669   0.018887  -0.001502   0.000898   0.000313
    12  H   -0.220435  -0.374660  -0.001790  -0.000369   0.000363   0.000244
    13  H    1.621141  -0.290476   0.002891  -0.000463   0.000179  -0.000508
    14  H   -0.290476   1.642400   0.001874   0.000445  -0.000065   0.000309
    15  H    0.002891   0.001874   3.266723  -0.185133  -0.026508   0.018571
    16  H   -0.000463   0.000445  -0.185133   2.491242  -0.139959  -0.031426
    17  H    0.000179  -0.000065  -0.026508  -0.139959   2.381174  -0.147166
    18  H   -0.000508   0.000309   0.018571  -0.031426  -0.147166   2.506188
    19  H   -0.050836   0.005813  -0.047069   0.016447  -0.022740  -0.242706
    20  H   -0.000265   0.009238  -0.000341   0.001322  -0.000120   0.000319
              19         20
     1  C    0.799970   0.004703
     2  C   -1.983633  -0.016407
     3  C    0.650783   0.133172
     4  C   -0.248346  -0.071369
     5  C    0.144917   0.003118
     6  C   -0.243634  -0.003798
     7  C   -0.206273  -0.097389
     8  N    0.000868   0.305725
     9  C    0.068673  -0.012687
    10  H    0.000884  -0.096858
    11  H    0.007761  -0.039018
    12  H   -0.001104  -0.005727
    13  H   -0.050836  -0.000265
    14  H    0.005813   0.009238
    15  H   -0.047069  -0.000341
    16  H    0.016447   0.001322
    17  H   -0.022740  -0.000120
    18  H   -0.242706   0.000319
    19  H    3.353580  -0.003048
    20  H   -0.003048   0.941977
 Mulliken charges:
               1
     1  C    0.101562
     2  C    0.749415
     3  C    1.533257
     4  C    0.977324
     5  C   -0.023705
     6  C    0.682549
     7  C   -0.088155
     8  N    0.100773
     9  C    0.924201
    10  H    0.021590
    11  H   -0.328386
    12  H   -0.188944
    13  H   -0.221546
    14  H   -0.226493
    15  H   -0.948147
    16  H   -0.682838
    17  H   -0.648211
    18  H   -0.681396
    19  H   -1.000305
    20  H   -0.052547
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.579834
     2  C   -0.250890
     3  C    1.533257
     4  C    0.029177
     5  C   -0.706543
     6  C    0.034339
     7  C   -0.416541
     8  N    0.069816
     9  C    0.287218
 Electronic spatial extent (au):  <R**2>=           1297.7619
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.1423    Y=             -0.7693    Z=              0.6581  Tot=              1.5264
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -47.4103   YY=            -53.5336   ZZ=            -58.6313
   XY=              0.3636   XZ=             -0.1246   YZ=              3.6194
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              5.7814   YY=             -0.3419   ZZ=             -5.4396
   XY=              0.3636   XZ=             -0.1246   YZ=              3.6194
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -14.4607  YYY=             -1.7054  ZZZ=             -0.0146  XYY=              4.2994
  XXY=              3.7222  XXZ=              0.4155  XZZ=             -8.6769  YZZ=             -0.0400
  YYZ=              3.8315  XYZ=             -2.6364
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1100.5495 YYYY=           -434.0653 ZZZZ=           -127.6728 XXXY=            -27.0486
 XXXZ=             23.8599 YYYX=             -0.7384 YYYZ=             17.6279 ZZZX=              0.7044
 ZZZY=              2.5697 XXYY=           -269.0078 XXZZ=           -237.8868 YYZZ=           -103.5457
 XXYZ=             11.7574 YYXZ=             -6.5330 ZZXY=             -1.0647
 N-N= 4.253718298430D+02 E-N=-1.699235284868D+03  KE= 3.633367110763D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 21:51:48 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.48079380D-01-2.69225474D-01 2.51130787D-01
 Polarizability= 1.26729849D+02 9.03546457D-01 1.04139862D+02
                 2.81517985D+00 4.83740742D+00 6.70563751D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.1168   -1.1165        0.4405    0.4395
 2      1.1168    1.1165       -1.9854   -1.9855      -12.0103  -12.0111
 3     -0.4405   -0.4395       30.7209   30.7209        1.9862    1.9855
 4      1.9854    1.9855        0.0000    0.0000       -0.4395   -0.4395
 5    -18.7105  -18.7098        0.4395    0.4395       -1.1171   -1.1165
 6     -1.9862   -1.9855        1.1171    1.1165       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        3.3494    3.3494        1.3185    1.3185
 2      5.9564    5.9564        0.0000    0.0000        1.3185    1.3185
 3      5.9564    5.9564        3.3494    3.3494        0.0000    0.0000
 4      3.3494    3.3494       -5.9564   -5.9564      -36.0333  -36.0333
 5     -1.3185   -1.3185       92.1627   92.1627        5.9564    5.9564
 6    -56.1293  -56.1293        1.3185    1.3185       -3.3494   -3.3494
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0451    0.0000        4.4305    4.4659       -1.6813   -1.7579
 2     -4.4630   -4.4659        7.9076    7.9419       47.9907   48.0444
 3      1.6902    1.7579     -122.8737 -122.8835       -7.9501   -7.9419
 4     -7.9614   -7.9419       -0.0047    0.0000        1.7812    1.7579
 5     74.8611   74.8391       -1.7230   -1.7579        4.3947    4.4659
 6      7.9722    7.9419       -4.4914   -4.4659        0.0440    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0319    0.0000        3.3103    3.2591      -12.1933  -12.1984
 2     -3.2810   -3.2591      -38.4109  -38.4161      -25.2180  -25.2447
 3     12.1193   12.1984      -23.5464  -23.5894       38.3584   38.4161
 4     38.4360   38.4161       -0.0159    0.0000       12.1871   12.1984
 5     48.7227   48.8341      -12.1818  -12.1984        3.2454    3.2591
 6    -38.4445  -38.4161       -3.2710   -3.2591       -0.0027    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     11.1824   11.2031        6.9849    7.0479       15.2078   15.1091
 2     72.1359   72.1116        1.3972    1.4370       15.1755   15.1091
 3     72.1087   72.1116        7.0098    7.0479       21.7461   21.7205
 4      5.6100    5.6109      -60.8291  -60.9085      -33.6129  -33.6979
 5      6.5961    6.6114      -43.9324  -43.9952       60.9238   60.9085
 6     77.6131   77.6930       -6.5996   -6.6114       -5.4908   -5.6109
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.9637   -3.5027   -0.0008   -0.0008   -0.0007    5.4256
 Low frequencies ---   38.3573  140.8983  226.9340
 Diagonal vibrational polarizability:
       16.3409826       6.7537814      20.4588085
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     38.3382               140.8978               226.9339
 Red. masses --      3.1692                 3.0957                 2.1737
 Frc consts  --      0.0027                 0.0362                 0.0660
 IR Inten    --      0.1854                 3.1281                 2.8062
 RamAct Fr= 1--      2.3436                 3.8889                 0.2058
  Dep-P Fr= 1--      0.7492                 0.7262                 0.6898
  Dep-U Fr= 1--      0.8566                 0.8414                 0.8164
 Alpha2 Fr= 1--      0.0000                 0.0016                 0.0002
 Beta2  Fr= 1--      0.3346                 0.5453                 0.0280
 AlphaG Fr= 1--      0.0004                 0.0006                -0.0006
 Gamma2 Fr= 1--     -1.5762                -0.9868                 0.0584
 Delta2 Fr= 1--     -1.1860                -0.4388                 0.1005
 Raman1 Fr= 1--       9.375                 15.555                  0.823
 ROA1   Fr= 1--    -189.271               -108.777                  8.820
 CID1   Fr= 1--     -20.190                 -6.993                 10.711
 Raman2 Fr= 1--       4.015                  6.544                  0.336
 ROA2   Fr= 1--     -28.341                -20.173                  0.596
 CID2   Fr= 1--      -7.059                 -3.083                  1.774
 Raman3 Fr= 1--       8.030                 13.088                  0.672
 ROA3   Fr= 1--    -189.271               -108.777                  8.820
 CID3   Fr= 1--     -23.569                 -8.311                 13.120
 RC180  Fr= 1--       0.713                  0.683                  0.633
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.14    -0.05  -0.03   0.07     0.06   0.04  -0.01
     2   6    -0.01  -0.02   0.15    -0.02   0.02  -0.14     0.06  -0.07  -0.03
     3   6     0.00   0.01   0.01    -0.01   0.04  -0.19    -0.01  -0.11  -0.04
     4   6     0.02   0.03  -0.13    -0.00   0.03  -0.17    -0.08  -0.08  -0.02
     5   6     0.03   0.03  -0.15    -0.03  -0.02   0.03    -0.10   0.03   0.02
     6   6     0.01   0.01  -0.01    -0.05  -0.05   0.19    -0.02   0.08   0.01
     7   6    -0.00   0.04  -0.01    -0.02   0.02  -0.04    -0.01  -0.04  -0.01
     8   7     0.02   0.04   0.21    -0.04  -0.00   0.08     0.16   0.05   0.02
     9   6    -0.04  -0.12  -0.20     0.19   0.00   0.07    -0.10   0.05   0.02
    10   1     0.06  -0.10   0.26     0.17   0.01   0.07     0.47   0.13  -0.01
    11   1     0.01   0.22  -0.09    -0.16   0.01  -0.01    -0.09  -0.02  -0.00
    12   1    -0.04  -0.32  -0.13     0.43  -0.02   0.04     0.16  -0.08   0.02
    13   1    -0.09  -0.13  -0.38     0.15  -0.01  -0.05    -0.38  -0.06  -0.14
    14   1    -0.04  -0.05  -0.23     0.15   0.03   0.32    -0.15   0.35   0.18
    15   1     0.03   0.04  -0.23     0.01   0.04  -0.23    -0.12  -0.11  -0.05
    16   1     0.04   0.05  -0.26    -0.02  -0.03   0.09    -0.17   0.06   0.03
    17   1     0.01   0.01  -0.02    -0.08  -0.09   0.40    -0.02   0.15   0.03
    18   1    -0.03  -0.04   0.25    -0.06  -0.04   0.16     0.13   0.09  -0.01
    19   1    -0.02  -0.04   0.26    -0.02   0.03  -0.19     0.13  -0.11  -0.02
    20   1     0.00   0.09   0.23    -0.10  -0.03   0.30     0.07   0.13   0.32
                      4                      5                      6
                      A                      A                      A
 Frequencies --    251.5487               259.7077               333.6777
 Red. masses --      1.0306                 1.4496                 3.0139
 Frc consts  --      0.0384                 0.0576                 0.1977
 IR Inten    --     32.0808                14.8692                 1.6611
 RamAct Fr= 1--      0.1231                 0.2963                 1.5328
  Dep-P Fr= 1--      0.4657                 0.7489                 0.0574
  Dep-U Fr= 1--      0.6354                 0.8564                 0.1086
 Alpha2 Fr= 1--      0.0007                 0.0000                 0.0297
 Beta2  Fr= 1--      0.0130                 0.0423                 0.0277
 AlphaG Fr= 1--      0.0013                 0.0003                 0.0084
 Gamma2 Fr= 1--      0.0841                 0.3138                -0.0125
 Delta2 Fr= 1--     -0.0302                 0.0078                 0.0056
 Raman1 Fr= 1--       0.493                  1.185                  6.131
 ROA1   Fr= 1--       7.105                 30.372                 -1.020
 CID1   Fr= 1--      14.426                 25.630                 -0.166
 Raman2 Fr= 1--       0.156                  0.507                  0.333
 ROA2   Fr= 1--       2.259                  7.469                 -0.345
 CID2   Fr= 1--      14.437                 14.719                 -1.035
 Raman3 Fr= 1--       0.313                  1.015                  0.666
 ROA3   Fr= 1--       7.105                 30.372                 -1.020
 CID3   Fr= 1--      22.702                 29.928                 -1.533
 RC180  Fr= 1--       0.271                  0.713                 -0.783
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00    -0.04  -0.01   0.00    -0.08  -0.02   0.04
     2   6    -0.01   0.01  -0.01    -0.04   0.03   0.06    -0.07  -0.06   0.10
     3   6    -0.00   0.01   0.00    -0.01   0.05   0.04    -0.03  -0.03  -0.01
     4   6     0.01   0.01  -0.00     0.02   0.03   0.07    -0.10  -0.03   0.09
     5   6     0.01  -0.00   0.00     0.03  -0.01   0.01    -0.11   0.00   0.02
     6   6     0.00  -0.01   0.01     0.00  -0.02  -0.05    -0.10   0.03  -0.11
     7   6     0.00  -0.01  -0.00     0.01   0.00  -0.01     0.03   0.04  -0.08
     8   7    -0.00  -0.01  -0.01    -0.04  -0.03  -0.09     0.14   0.09  -0.01
     9   6    -0.02  -0.01  -0.01     0.05  -0.04  -0.02     0.23  -0.02  -0.03
    10   1     0.49   0.20  -0.10     0.31   0.20  -0.18     0.11   0.01   0.02
    11   1     0.02  -0.02  -0.00     0.06  -0.04  -0.01    -0.02   0.08  -0.08
    12   1    -0.35   0.17  -0.02     0.42  -0.29   0.01     0.17   0.12  -0.07
    13   1     0.21   0.07   0.23    -0.22  -0.13  -0.35     0.53   0.11   0.06
    14   1     0.03  -0.27  -0.26    -0.01   0.25   0.26     0.25  -0.35   0.01
    15   1     0.04   0.03  -0.01     0.06   0.06   0.09    -0.14  -0.07   0.13
    16   1     0.01  -0.00  -0.00     0.06  -0.02  -0.00    -0.12   0.00   0.03
    17   1    -0.00  -0.01   0.01     0.01  -0.03  -0.13    -0.09   0.07  -0.25
    18   1    -0.01  -0.00  -0.01    -0.07  -0.02  -0.01    -0.04  -0.01   0.06
    19   1    -0.01   0.02  -0.02    -0.07   0.04   0.08    -0.08  -0.08   0.16
    20   1    -0.15  -0.11   0.53    -0.15  -0.16   0.32     0.16   0.23  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    396.3804               415.3491               465.0528
 Red. masses --      3.3102                 2.9778                 2.8227
 Frc consts  --      0.3064                 0.3027                 0.3597
 IR Inten    --      7.6347                 0.0411                 1.6174
 RamAct Fr= 1--      1.0909                 0.0520                 3.1426
  Dep-P Fr= 1--      0.6805                 0.3749                 0.1066
  Dep-U Fr= 1--      0.8099                 0.5453                 0.1927
 Alpha2 Fr= 1--      0.0013                 0.0004                 0.0541
 Beta2  Fr= 1--      0.1472                 0.0047                 0.1009
 AlphaG Fr= 1--     -0.0039                -0.0034                 0.0332
 Gamma2 Fr= 1--      0.4188                -0.3380                 0.2803
 Delta2 Fr= 1--      0.1229                -0.0613                -0.0191
 Raman1 Fr= 1--       4.363                  0.208                 12.570
 ROA1   Fr= 1--      44.137                -34.406                 26.299
 CID1   Fr= 1--      10.115               -165.308                  2.092
 Raman2 Fr= 1--       1.767                  0.057                  1.211
 ROA2   Fr= 1--       9.068                 -7.621                  6.880
 CID2   Fr= 1--       5.132               -134.290                  5.682
 Raman3 Fr= 1--       3.534                  0.114                  2.422
 ROA3   Fr= 1--      44.137                -34.406                 26.299
 CID3   Fr= 1--      12.490               -303.127                 10.859
 RC180  Fr= 1--       0.620                  0.091                 -0.615
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.01  -0.07     0.02   0.04  -0.21     0.09   0.02  -0.00
     2   6    -0.07   0.07  -0.07    -0.02  -0.03   0.21     0.06  -0.04  -0.01
     3   6    -0.01   0.06   0.12    -0.00   0.00  -0.00    -0.05  -0.08   0.03
     4   6    -0.00   0.10  -0.07     0.03   0.04  -0.21     0.01  -0.11  -0.02
     5   6    -0.01   0.04  -0.05    -0.02  -0.04   0.20     0.01  -0.03  -0.03
     6   6    -0.09  -0.03   0.10     0.00  -0.00  -0.00     0.09   0.02   0.04
     7   6     0.04  -0.05   0.15    -0.01   0.00  -0.00    -0.13   0.11   0.10
     8   7     0.22   0.01  -0.08    -0.01  -0.00   0.00    -0.11   0.19  -0.09
     9   6    -0.03  -0.18   0.05     0.01  -0.00  -0.00     0.03  -0.11   0.02
    10   1     0.11   0.16  -0.14    -0.01  -0.00   0.00    -0.06   0.46  -0.20
    11   1     0.11  -0.11   0.15    -0.02   0.01  -0.00    -0.17   0.10   0.11
    12   1    -0.11  -0.36   0.13     0.00   0.01  -0.00     0.01  -0.32   0.10
    13   1     0.01  -0.15  -0.11     0.01   0.00   0.01     0.29   0.03  -0.25
    14   1    -0.01  -0.19  -0.06     0.01  -0.01  -0.00     0.04  -0.38   0.06
    15   1     0.02   0.12  -0.18     0.05   0.07  -0.43     0.02  -0.10  -0.04
    16   1     0.06   0.02  -0.12    -0.04  -0.08   0.46    -0.07   0.01  -0.06
    17   1    -0.10  -0.10   0.22     0.00  -0.01   0.01     0.08   0.05   0.08
    18   1    -0.10   0.02  -0.17     0.04   0.07  -0.43     0.10   0.03  -0.03
    19   1    -0.13   0.13  -0.18    -0.04  -0.08   0.45     0.17  -0.09  -0.04
    20   1     0.28   0.22  -0.31    -0.01   0.00  -0.01    -0.12   0.16  -0.07
                     10                     11                     12
                      A                      A                      A
 Frequencies --    519.1726               597.2976               638.9278
 Red. masses --      3.2119                 2.8438                 6.3743
 Frc consts  --      0.5101                 0.5978                 1.5332
 IR Inten    --      6.6799                10.3708                 0.0498
 RamAct Fr= 1--      2.0459                 1.0015                 4.1361
  Dep-P Fr= 1--      0.2274                 0.7231                 0.7494
  Dep-U Fr= 1--      0.3706                 0.8393                 0.8567
 Alpha2 Fr= 1--      0.0258                 0.0005                 0.0000
 Beta2  Fr= 1--      0.1264                 0.1401                 0.5906
 AlphaG Fr= 1--     -0.0127                 0.0017                 0.0006
 Gamma2 Fr= 1--     -0.1799                 0.0092                 0.0306
 Delta2 Fr= 1--     -0.0430                -0.0142                 0.0567
 Raman1 Fr= 1--       8.183                  4.006                 16.544
 ROA1   Fr= 1--     -18.646                  0.426                  4.756
 CID1   Fr= 1--      -2.278                  0.106                  0.287
 Raman2 Fr= 1--       1.516                  1.681                  7.087
 ROA2   Fr= 1--      -3.973                  0.334                  0.282
 CID2   Fr= 1--      -2.620                  0.199                  0.040
 Raman3 Fr= 1--       3.032                  3.362                 14.174
 ROA3   Fr= 1--     -18.646                  0.426                  4.756
 CID3   Fr= 1--      -6.149                  0.127                  0.336
 RC180  Fr= 1--      -0.259                  0.679                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03  -0.11    -0.01  -0.09   0.06     0.27  -0.23  -0.01
     2   6     0.01  -0.10  -0.00     0.02  -0.11  -0.07     0.22   0.22   0.05
     3   6     0.05  -0.08   0.24     0.14   0.00  -0.10    -0.01   0.14   0.02
     4   6    -0.05  -0.02   0.00    -0.00   0.04  -0.05    -0.25   0.20   0.00
     5   6    -0.06   0.03  -0.11    -0.05   0.05   0.08    -0.24  -0.25  -0.07
     6   6    -0.11  -0.02   0.14    -0.12   0.03  -0.12     0.01  -0.14  -0.03
     7   6     0.12   0.08   0.01     0.15   0.08   0.18     0.00  -0.00   0.01
     8   7    -0.08  -0.00   0.01    -0.05   0.02  -0.02     0.01   0.03  -0.00
     9   6     0.09   0.13  -0.08    -0.01  -0.00   0.00    -0.01   0.00   0.00
    10   1    -0.10  -0.00   0.01    -0.15   0.25  -0.11     0.01   0.02   0.00
    11   1     0.28   0.12  -0.04     0.10   0.03   0.20     0.01  -0.00   0.01
    12   1     0.12   0.12  -0.09    -0.25  -0.27   0.14    -0.01  -0.02   0.01
    13   1     0.05   0.11  -0.08    -0.10  -0.03  -0.16    -0.01   0.00  -0.02
    14   1     0.09   0.18  -0.07     0.03   0.12  -0.30    -0.01   0.01  -0.01
    15   1    -0.12  -0.05  -0.24    -0.13  -0.05   0.09    -0.10   0.29   0.05
    16   1    -0.02   0.07  -0.36    -0.01  -0.02   0.32    -0.09  -0.33  -0.04
    17   1    -0.11   0.01   0.20    -0.13   0.03  -0.06    -0.02   0.29   0.05
    18   1     0.12   0.06  -0.35     0.08  -0.06   0.31     0.12  -0.32  -0.02
    19   1     0.01  -0.04  -0.24    -0.07  -0.10   0.11     0.07   0.29   0.07
    20   1    -0.11  -0.31   0.16    -0.04  -0.31   0.01     0.00   0.03   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    713.4131               752.2143               778.0136
 Red. masses --      1.7853                 3.1731                 2.0158
 Frc consts  --      0.5354                 1.0578                 0.7189
 IR Inten    --     40.2636                13.4745                20.9051
 RamAct Fr= 1--      0.0638                12.4700                 4.0414
  Dep-P Fr= 1--      0.3593                 0.0514                 0.2610
  Dep-U Fr= 1--      0.5287                 0.0977                 0.4140
 Alpha2 Fr= 1--      0.0005                 0.2455                 0.0464
 Beta2  Fr= 1--      0.0056                 0.2031                 0.2788
 AlphaG Fr= 1--      0.0031                -0.0781                -0.0013
 Gamma2 Fr= 1--      0.0506                 1.4247                 0.6305
 Delta2 Fr= 1--      0.0115                 0.6535                -0.1406
 Raman1 Fr= 1--       0.255                 49.880                 16.166
 ROA1   Fr= 1--       5.226                157.685                 56.035
 CID1   Fr= 1--      20.477                  3.161                  3.466
 Raman2 Fr= 1--       0.067                  2.438                  3.346
 ROA2   Fr= 1--       1.123                 28.966                 16.258
 CID2   Fr= 1--      16.651                 11.883                  4.859
 Raman3 Fr= 1--       0.135                  4.875                  6.692
 ROA3   Fr= 1--       5.226                157.685                 56.035
 CID3   Fr= 1--      38.734                 32.344                  8.373
 RC180  Fr= 1--       0.057                 -0.805                 -0.172
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.14    -0.07   0.14   0.03     0.03  -0.06  -0.00
     2   6    -0.01  -0.02   0.07    -0.05   0.13  -0.06     0.03  -0.03  -0.08
     3   6     0.02   0.02  -0.10    -0.12  -0.03   0.10     0.01  -0.03   0.18
     4   6    -0.01  -0.01   0.08    -0.04  -0.13  -0.10     0.03   0.06  -0.06
     5   6     0.02   0.03  -0.14    -0.06  -0.15  -0.02     0.03   0.06   0.02
     6   6    -0.02  -0.01   0.07     0.15   0.03  -0.07    -0.04   0.02  -0.12
     7   6     0.00   0.00   0.00     0.08   0.03   0.10    -0.07  -0.03  -0.07
     8   7     0.00   0.00  -0.00     0.04  -0.07   0.01    -0.01   0.03  -0.01
     9   6     0.00  -0.00   0.00     0.07   0.09  -0.06    -0.03  -0.02  -0.00
    10   1    -0.00   0.02  -0.01    -0.05   0.03  -0.03     0.05  -0.08   0.04
    11   1    -0.04  -0.00   0.01     0.17   0.00   0.09     0.08   0.05  -0.13
    12   1    -0.03  -0.02   0.01    -0.03  -0.02  -0.00     0.17   0.15  -0.09
    13   1    -0.02  -0.01   0.00     0.02   0.08  -0.14     0.07   0.01   0.10
    14   1     0.00   0.01  -0.03     0.09   0.15  -0.20    -0.06  -0.14   0.26
    15   1    -0.04  -0.06   0.49     0.03  -0.10   0.08    -0.02   0.03   0.01
    16   1    -0.01  -0.03   0.19    -0.30  -0.12   0.35     0.06  -0.05   0.45
    17   1    -0.07  -0.10   0.56     0.10  -0.04   0.36    -0.11  -0.10   0.48
    18   1    -0.02  -0.04   0.21    -0.28  -0.03   0.36     0.05  -0.10   0.45
    19   1    -0.05  -0.10   0.51     0.04   0.05   0.10    -0.02  -0.03   0.02
    20   1     0.00  -0.01   0.00     0.06  -0.22  -0.01    -0.04   0.14   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    856.4258               861.6440               920.2131
 Red. masses --      1.2898                 1.6641                 1.5161
 Frc consts  --      0.5574                 0.7279                 0.7564
 IR Inten    --     16.1762                98.9314                22.1301
 RamAct Fr= 1--      1.4540                 0.3789                 3.1313
  Dep-P Fr= 1--      0.6448                 0.1539                 0.4949
  Dep-U Fr= 1--      0.7841                 0.2668                 0.6621
 Alpha2 Fr= 1--      0.0028                 0.0058                 0.0158
 Beta2  Fr= 1--      0.1900                 0.0168                 0.3455
 AlphaG Fr= 1--     -0.0031                 0.0079                -0.0355
 Gamma2 Fr= 1--     -0.4917                 0.0744                -2.0455
 Delta2 Fr= 1--     -0.4019                 0.0434                -1.4821
 Raman1 Fr= 1--       5.816                  1.516                 12.525
 ROA1   Fr= 1--     -60.059                  8.535               -243.797
 CID1   Fr= 1--     -10.326                  5.631                -19.465
 Raman2 Fr= 1--       2.280                  0.202                  4.146
 ROA2   Fr= 1--      -8.585                  1.439                -37.236
 CID2   Fr= 1--      -3.765                  7.120                 -8.980
 Raman3 Fr= 1--       4.560                  0.404                  8.293
 ROA3   Fr= 1--     -60.059                  8.535               -243.797
 CID3   Fr= 1--     -13.170                 21.107                -29.398
 RC180  Fr= 1--       0.568                 -0.466                  0.324
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.07    -0.02   0.03  -0.03    -0.02   0.03   0.01
     2   6     0.01   0.01  -0.08    -0.01   0.03  -0.03    -0.01   0.01  -0.00
     3   6    -0.00  -0.00   0.01     0.01  -0.00   0.00     0.03   0.01   0.00
     4   6    -0.01  -0.00   0.06    -0.01  -0.02   0.02    -0.01  -0.03  -0.00
     5   6    -0.00  -0.01   0.07    -0.01  -0.03   0.03    -0.03  -0.04  -0.02
     6   6    -0.00  -0.00   0.01     0.02  -0.00   0.01     0.02   0.01   0.00
     7   6    -0.02   0.01   0.01     0.07  -0.02  -0.05     0.10   0.02  -0.05
     8   7    -0.01  -0.05   0.02     0.02   0.16  -0.06    -0.06   0.04   0.03
     9   6     0.01   0.02  -0.02    -0.03  -0.07   0.06     0.00  -0.14   0.03
    10   1     0.09   0.19  -0.08    -0.25  -0.51   0.23     0.04   0.41  -0.13
    11   1    -0.02   0.02   0.01     0.09  -0.04  -0.04     0.20   0.25  -0.16
    12   1     0.01   0.03  -0.02    -0.03  -0.06   0.06     0.02   0.27  -0.12
    13   1     0.01   0.02  -0.02    -0.07  -0.09   0.11    -0.29  -0.30   0.50
    14   1     0.02   0.03  -0.03    -0.03  -0.07   0.07    -0.03   0.20   0.08
    15   1     0.04   0.06  -0.44    -0.00  -0.00  -0.17    -0.00  -0.03  -0.02
    16   1     0.07   0.08  -0.46    -0.01   0.03  -0.23    -0.09  -0.02   0.04
    17   1     0.00   0.01  -0.04     0.02  -0.01  -0.03     0.01   0.03   0.01
    18   1    -0.04  -0.09   0.44    -0.08  -0.03   0.20    -0.04   0.03  -0.06
    19   1    -0.04  -0.09   0.48    -0.03  -0.02   0.22    -0.03   0.03  -0.00
    20   1     0.03   0.16  -0.14    -0.08  -0.45   0.35     0.00   0.18  -0.17
                     19                     20                     21
                      A                      A                      A
 Frequencies --    923.5110               962.3217               977.5367
 Red. masses --      1.3848                 1.3371                 1.2443
 Frc consts  --      0.6959                 0.7296                 0.7005
 IR Inten    --      1.9609                 0.6079                 0.3103
 RamAct Fr= 1--      1.2947                 0.1054                 0.4583
  Dep-P Fr= 1--      0.3254                 0.2796                 0.0973
  Dep-U Fr= 1--      0.4910                 0.4371                 0.1774
 Alpha2 Fr= 1--      0.0123                 0.0011                 0.0081
 Beta2  Fr= 1--      0.1059                 0.0077                 0.0135
 AlphaG Fr= 1--     -0.0178                 0.0040                 0.0098
 Gamma2 Fr= 1--     -1.2760                 0.4245                 0.1883
 Delta2 Fr= 1--      0.1766                -0.1162                -0.0366
 Raman1 Fr= 1--       5.179                  0.422                  1.833
 ROA1   Fr= 1--    -116.849                 37.030                 16.908
 CID1   Fr= 1--     -22.563                 87.828                  9.223
 Raman2 Fr= 1--       1.271                  0.092                  0.163
 ROA2   Fr= 1--     -32.038                 11.117                  4.813
 CID2   Fr= 1--     -25.199                120.659                 29.604
 Raman3 Fr= 1--       2.543                  0.184                  0.325
 ROA3   Fr= 1--    -116.849                 37.030                 16.908
 CID3   Fr= 1--     -45.954                200.954                 52.000
 RC180  Fr= 1--      -0.018                 -0.126                 -0.645
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01     0.01   0.02  -0.10     0.00   0.01  -0.04
     2   6    -0.01  -0.02   0.10    -0.01  -0.02   0.09    -0.00  -0.00   0.01
     3   6     0.01   0.01  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
     4   6    -0.01  -0.01   0.09     0.01   0.01  -0.07    -0.01  -0.01   0.07
     5   6     0.00  -0.00   0.01    -0.01  -0.01   0.05     0.01   0.02  -0.09
     6   6     0.02   0.02  -0.10    -0.01  -0.00   0.03     0.00  -0.01   0.07
     7   6     0.01   0.01  -0.01     0.00   0.00   0.00     0.00   0.00  -0.01
     8   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     9   6     0.01  -0.00   0.02    -0.01  -0.01  -0.00     0.00   0.00   0.01
    10   1    -0.00  -0.00   0.00     0.01   0.04  -0.01     0.00  -0.02   0.01
    11   1    -0.09  -0.05   0.03     0.02   0.02  -0.01    -0.02  -0.03   0.01
    12   1    -0.09  -0.08   0.06     0.01   0.02  -0.01    -0.03  -0.03   0.03
    13   1    -0.04  -0.02  -0.02     0.00  -0.00   0.02    -0.01  -0.00  -0.02
    14   1     0.02   0.06  -0.10    -0.01   0.00   0.02     0.01   0.01  -0.04
    15   1     0.02   0.05  -0.50    -0.01  -0.04   0.39     0.01   0.04  -0.47
    16   1     0.01   0.02  -0.11     0.02   0.05  -0.27    -0.06  -0.10   0.61
    17   1    -0.06  -0.11   0.61     0.02   0.05  -0.20     0.06   0.07  -0.45
    18   1    -0.02  -0.01   0.04    -0.06  -0.11   0.62    -0.05  -0.07   0.33
    19   1     0.04   0.10  -0.50     0.04   0.10  -0.53     0.01   0.03  -0.16
    20   1     0.00   0.00  -0.01     0.00   0.01  -0.01    -0.00   0.01  -0.00
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1018.1085              1025.8200              1055.3457
 Red. masses --      1.5503                 6.1378                 2.3340
 Frc consts  --      0.9468                 3.8055                 1.5316
 IR Inten    --      3.3905                 0.0287                 7.2901
 RamAct Fr= 1--      3.1657                49.6641                23.9171
  Dep-P Fr= 1--      0.4115                 0.0537                 0.0503
  Dep-U Fr= 1--      0.5830                 0.1019                 0.0958
 Alpha2 Fr= 1--      0.0225                 0.9725                 0.4721
 Beta2  Fr= 1--      0.3076                 0.8432                 0.3817
 AlphaG Fr= 1--      0.0144                -0.0307                -0.0384
 Gamma2 Fr= 1--      1.1600                -0.2556                -0.9460
 Delta2 Fr= 1--      0.9274                -0.1199                -0.7975
 Raman1 Fr= 1--      12.663                198.656                 95.669
 ROA1   Fr= 1--     141.034                -28.377               -116.334
 CID1   Fr= 1--      11.138                 -0.143                 -1.216
 Raman2 Fr= 1--       3.691                 10.119                  4.581
 ROA2   Fr= 1--      20.420                 -5.175                -16.324
 CID2   Fr= 1--       5.532                 -0.511                 -3.564
 Raman3 Fr= 1--       7.383                 20.237                  9.161
 ROA3   Fr= 1--     141.034                -28.377               -116.334
 CID3   Fr= 1--      19.103                 -1.402                -12.699
 RC180  Fr= 1--       0.166                 -0.796                 -0.808
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.03   0.05   0.00    -0.05   0.20   0.03
     2   6    -0.01  -0.01   0.01    -0.16  -0.36  -0.08     0.05  -0.06  -0.01
     3   6     0.03   0.01  -0.05    -0.00   0.01   0.01     0.05   0.00   0.01
     4   6    -0.00  -0.00   0.02    -0.21   0.34   0.02     0.05   0.06   0.02
     5   6    -0.02  -0.02  -0.01    -0.01  -0.05  -0.00    -0.03  -0.20  -0.04
     6   6     0.01   0.00  -0.00     0.37   0.02   0.04    -0.14  -0.01  -0.02
     7   6     0.02   0.12   0.02     0.01  -0.00   0.01     0.01   0.00  -0.04
     8   7     0.06  -0.09   0.01     0.00  -0.00  -0.00    -0.02  -0.01   0.00
     9   6    -0.13  -0.01  -0.01     0.02  -0.00  -0.00    -0.02   0.01   0.03
    10   1    -0.08   0.10  -0.07     0.01   0.00  -0.00     0.07  -0.07   0.02
    11   1     0.15   0.35  -0.10    -0.00  -0.00   0.01     0.03  -0.09  -0.00
    12   1     0.27   0.09  -0.11    -0.01   0.01  -0.00    -0.04  -0.11   0.07
    13   1     0.26   0.15  -0.01    -0.02  -0.02   0.03     0.04   0.04  -0.10
    14   1    -0.17  -0.39   0.49     0.02   0.03  -0.04    -0.00  -0.05  -0.01
    15   1     0.02   0.02  -0.11    -0.15   0.39   0.13     0.31   0.22   0.04
    16   1    -0.03  -0.02   0.01     0.03  -0.04  -0.05     0.29  -0.37  -0.01
    17   1     0.00   0.03   0.03     0.38   0.02   0.06    -0.15  -0.01  -0.02
    18   1     0.00   0.02  -0.02     0.01   0.05   0.01     0.26   0.40   0.11
    19   1    -0.01   0.00  -0.04    -0.09  -0.41  -0.08     0.35  -0.20  -0.00
    20   1     0.09  -0.39  -0.02     0.00   0.03   0.00    -0.02   0.17  -0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1072.7762              1107.0832              1123.3241
 Red. masses --      2.2777                 1.6577                 1.8784
 Frc consts  --      1.5444                 1.1971                 1.3965
 IR Inten    --     20.4139                 3.1311                 3.1838
 RamAct Fr= 1--      8.5886                 1.4873                 9.1729
  Dep-P Fr= 1--      0.3722                 0.2739                 0.1039
  Dep-U Fr= 1--      0.5425                 0.4300                 0.1882
 Alpha2 Fr= 1--      0.0701                 0.0165                 0.1591
 Beta2  Fr= 1--      0.7766                 0.1066                 0.2878
 AlphaG Fr= 1--     -0.0494                 0.0339                 0.0392
 Gamma2 Fr= 1--     -0.6484                -0.8517                 0.4932
 Delta2 Fr= 1--      0.6422                -0.4623                -0.3975
 Raman1 Fr= 1--      34.354                  5.949                 36.692
 ROA1   Fr= 1--     -41.692                -96.561                 34.629
 CID1   Fr= 1--      -1.214                -16.231                  0.944
 Raman2 Fr= 1--       9.319                  1.279                  3.453
 ROA2   Fr= 1--     -20.698                -16.744                 15.017
 CID2   Fr= 1--      -2.221                -13.090                  4.349
 Raman3 Fr= 1--      18.638                  2.558                  6.906
 ROA3   Fr= 1--     -41.692                -96.561                 34.629
 CID3   Fr= 1--      -2.237                -37.745                  5.014
 RC180  Fr= 1--       0.085                 -0.140                 -0.624
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.01     0.08  -0.05  -0.00     0.01   0.01   0.00
     2   6    -0.04  -0.02  -0.02    -0.08  -0.05  -0.02     0.06   0.01  -0.00
     3   6     0.02   0.04   0.05    -0.10   0.04   0.00    -0.12  -0.04   0.03
     4   6     0.03  -0.05  -0.02     0.09  -0.02   0.02    -0.06   0.03  -0.02
     5   6    -0.04  -0.01  -0.01    -0.01  -0.04  -0.01     0.06   0.05   0.02
     6   6     0.03   0.05   0.01    -0.04   0.07   0.01    -0.03  -0.05  -0.01
     7   6     0.04   0.18  -0.17    -0.06   0.02   0.04    -0.03   0.14  -0.07
     8   7    -0.02  -0.09   0.00     0.05  -0.01  -0.02     0.06  -0.06  -0.00
     9   6    -0.03  -0.01   0.15     0.05  -0.03  -0.03     0.05  -0.05   0.06
    10   1     0.24  -0.26   0.05    -0.11  -0.06   0.01    -0.09   0.06  -0.05
    11   1     0.15  -0.06  -0.09    -0.16   0.10   0.03    -0.33   0.29  -0.07
    12   1    -0.25  -0.42   0.34    -0.02   0.15  -0.08    -0.20  -0.04   0.10
    13   1    -0.01   0.02  -0.21    -0.13  -0.12   0.16    -0.18  -0.15   0.09
    14   1     0.02  -0.11  -0.13     0.04   0.18  -0.08     0.06   0.19  -0.19
    15   1     0.05  -0.05   0.08     0.48   0.23   0.01    -0.13  -0.01   0.05
    16   1    -0.23   0.09  -0.02    -0.08  -0.02   0.02     0.29  -0.06   0.02
    17   1     0.02   0.26   0.04    -0.06   0.46   0.07    -0.01  -0.31  -0.07
    18   1     0.03  -0.05  -0.01     0.34   0.10   0.06     0.02   0.01   0.02
    19   1    -0.23   0.05   0.06    -0.24   0.02  -0.02     0.37  -0.15   0.02
    20   1    -0.01   0.30  -0.06     0.04  -0.25   0.05     0.09  -0.38  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1184.6482              1205.2729              1209.3653
 Red. masses --      1.1198                 1.4847                 1.1355
 Frc consts  --      0.9259                 1.2708                 0.9785
 IR Inten    --      0.2356                 5.1110                 1.0457
 RamAct Fr= 1--      3.5254                 1.6395                 5.8515
  Dep-P Fr= 1--      0.7500                 0.4882                 0.4918
  Dep-U Fr= 1--      0.8571                 0.6561                 0.6593
 Alpha2 Fr= 1--      0.0000                 0.0085                 0.0300
 Beta2  Fr= 1--      0.5036                 0.1793                 0.6430
 AlphaG Fr= 1--     -0.0000                -0.0046                 0.0243
 Gamma2 Fr= 1--      0.1537                -2.0404                 0.1416
 Delta2 Fr= 1--      0.1444                -0.3405                 0.3367
 Raman1 Fr= 1--      14.102                  6.558                 23.406
 ROA1   Fr= 1--      19.373               -206.775                 24.369
 CID1   Fr= 1--       1.374                -31.529                  1.041
 Raman2 Fr= 1--       6.044                  2.151                  7.716
 ROA2   Fr= 1--       2.533                -46.246                  0.705
 CID2   Fr= 1--       0.419                -21.496                  0.091
 Raman3 Fr= 1--      12.087                  4.303                 15.432
 ROA3   Fr= 1--      19.373               -206.775                 24.369
 CID3   Fr= 1--       1.603                -48.056                  1.579
 RC180  Fr= 1--       0.714                  0.312                  0.319
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.01     0.02  -0.02  -0.00    -0.04  -0.03  -0.01
     2   6     0.01  -0.01   0.00     0.02  -0.02   0.01     0.05  -0.03   0.00
     3   6    -0.01   0.00  -0.01    -0.09   0.06  -0.05    -0.03   0.00  -0.00
     4   6    -0.01  -0.01  -0.00    -0.04  -0.03  -0.00     0.04   0.03   0.01
     5   6     0.05  -0.02   0.00     0.03   0.02   0.01    -0.04   0.03  -0.00
     6   6    -0.01   0.06   0.01    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
     7   6    -0.00   0.01   0.01    -0.02   0.08   0.10     0.01  -0.00  -0.00
     8   7    -0.00  -0.00  -0.00    -0.01  -0.02  -0.05    -0.00   0.00   0.00
     9   6     0.00  -0.00  -0.00     0.01  -0.03  -0.03    -0.01  -0.00   0.00
    10   1     0.02  -0.03   0.01     0.18  -0.43   0.12    -0.00   0.00   0.00
    11   1     0.06  -0.01   0.01     0.61  -0.09   0.05     0.05  -0.03   0.00
    12   1     0.01   0.02  -0.01     0.04   0.12  -0.08     0.01   0.01  -0.00
    13   1    -0.00  -0.01   0.01    -0.02  -0.05   0.14     0.02   0.01  -0.01
    14   1    -0.00   0.01   0.01    -0.01   0.11   0.07    -0.01   0.01   0.01
    15   1    -0.15  -0.10  -0.02    -0.08  -0.05  -0.05     0.44   0.28   0.05
    16   1     0.45  -0.23   0.01     0.03   0.02  -0.00    -0.41   0.22  -0.00
    17   1    -0.04   0.63   0.11     0.00  -0.20  -0.03    -0.01  -0.02  -0.00
    18   1    -0.40  -0.25  -0.09     0.18   0.08   0.03    -0.39  -0.25  -0.09
    19   1     0.20  -0.10  -0.00     0.20  -0.12  -0.02     0.47  -0.24  -0.00
    20   1    -0.01   0.03   0.01    -0.08   0.35   0.08     0.00   0.00  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1238.3137              1330.5392              1337.8429
 Red. masses --      2.5220                 1.3551                 4.4957
 Frc consts  --      2.2785                 1.4135                 4.7408
 IR Inten    --      8.3355                 7.9831                 1.3839
 RamAct Fr= 1--     18.3142                11.0205                 2.4427
  Dep-P Fr= 1--      0.0473                 0.3372                 0.1219
  Dep-U Fr= 1--      0.0903                 0.5044                 0.2174
 Alpha2 Fr= 1--      0.3641                 0.1008                 0.0405
 Beta2  Fr= 1--      0.2756                 0.9264                 0.0885
 AlphaG Fr= 1--     -0.2075                -0.0613                 0.0250
 Gamma2 Fr= 1--      0.9414                -1.6283                 0.4972
 Delta2 Fr= 1--      0.8320                -0.8118                -0.0049
 Raman1 Fr= 1--      73.257                 44.082                  9.771
 ROA1   Fr= 1--     117.001               -182.296                 47.578
 CID1   Fr= 1--       1.597                 -4.135                  4.869
 Raman2 Fr= 1--       3.307                 11.116                  1.062
 ROA2   Fr= 1--      15.939                -32.584                 11.972
 CID2   Fr= 1--       4.820                 -2.931                 11.273
 Raman3 Fr= 1--       6.614                 22.233                  2.124
 ROA3   Fr= 1--     117.001               -182.296                 47.578
 CID3   Fr= 1--      17.691                 -8.199                 22.399
 RC180  Fr= 1--      -0.819                  0.009                 -0.565
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05   0.00     0.01   0.02   0.00    -0.19  -0.11  -0.04
     2   6     0.04  -0.00   0.00    -0.01   0.00   0.00     0.17  -0.10  -0.00
     3   6     0.23   0.00   0.04     0.03  -0.02  -0.03     0.04   0.32   0.06
     4   6     0.05   0.02   0.01     0.02   0.01   0.01    -0.12  -0.11  -0.03
     5   6    -0.07  -0.05  -0.02    -0.02   0.00  -0.00     0.17  -0.13  -0.00
     6   6     0.01  -0.01  -0.00     0.00  -0.02  -0.00    -0.01   0.18   0.03
     7   6    -0.17   0.12   0.07    -0.11  -0.09   0.02    -0.07  -0.09  -0.04
     8   7     0.03  -0.06  -0.07     0.01   0.00  -0.01     0.04   0.02   0.03
     9   6     0.05  -0.05  -0.06     0.05   0.04   0.05     0.01   0.02   0.02
    10   1     0.06  -0.40   0.08    -0.07   0.01  -0.01    -0.16   0.25  -0.06
    11   1    -0.45   0.12   0.13     0.51   0.66  -0.39    -0.11   0.07  -0.10
    12   1    -0.07   0.18  -0.11    -0.15  -0.11   0.13    -0.03  -0.01   0.03
    13   1    -0.15  -0.15   0.22    -0.10  -0.01  -0.14    -0.06   0.00  -0.10
    14   1     0.02   0.20   0.02     0.08   0.01  -0.15     0.02  -0.05  -0.06
    15   1    -0.20  -0.14  -0.02    -0.01  -0.01  -0.02    -0.21  -0.17  -0.03
    16   1    -0.26   0.05  -0.02    -0.01  -0.00  -0.00    -0.46   0.18  -0.03
    17   1     0.01  -0.01  -0.00    -0.00   0.03   0.00     0.00  -0.13  -0.02
    18   1    -0.30  -0.09  -0.04    -0.06  -0.02  -0.01     0.30   0.19   0.07
    19   1    -0.08   0.07  -0.00    -0.01   0.01  -0.02     0.11  -0.07   0.00
    20   1    -0.05   0.09   0.14    -0.01  -0.03   0.05     0.06  -0.25   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1361.5267              1406.4366              1413.6672
 Red. masses --      1.4414                 1.2308                 1.3310
 Frc consts  --      1.5743                 1.4345                 1.5672
 IR Inten    --      0.4732                 6.9771                13.0961
 RamAct Fr= 1--      0.5088                 1.4246                 4.4147
  Dep-P Fr= 1--      0.6009                 0.5982                 0.7116
  Dep-U Fr= 1--      0.7507                 0.7486                 0.8315
 Alpha2 Fr= 1--      0.0014                 0.0040                 0.0029
 Beta2  Fr= 1--      0.0637                 0.1777                 0.6118
 AlphaG Fr= 1--     -0.0067                 0.0051                 0.0138
 Gamma2 Fr= 1--      0.0486                 0.1536                -0.2478
 Delta2 Fr= 1--     -0.0820                -0.3165                 1.3013
 Raman1 Fr= 1--       2.035                  5.698                 17.659
 ROA1   Fr= 1--       2.046                  4.614                 17.852
 CID1   Fr= 1--       1.005                  0.810                  1.011
 Raman2 Fr= 1--       0.764                  2.133                  7.341
 ROA2   Fr= 1--       1.823                  6.218                -16.357
 CID2   Fr= 1--       2.386                  2.915                 -2.228
 Raman3 Fr= 1--       1.528                  4.266                 14.683
 ROA3   Fr= 1--       2.046                  4.614                 17.852
 CID3   Fr= 1--       1.339                  1.082                  1.216
 RC180  Fr= 1--       0.501                  0.497                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.00     0.01   0.00   0.00    -0.01  -0.02  -0.00
     2   6    -0.10   0.03  -0.01    -0.01   0.00   0.00    -0.01   0.01   0.00
     3   6    -0.01   0.06   0.01     0.00   0.00  -0.00    -0.03   0.01   0.01
     4   6     0.10   0.04   0.02     0.01   0.00   0.00    -0.01  -0.00  -0.00
     5   6    -0.02  -0.00  -0.00    -0.01   0.00   0.00     0.03  -0.00   0.00
     6   6     0.01  -0.10  -0.02    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.02  -0.02    -0.04   0.01  -0.02     0.11  -0.05   0.05
     8   7     0.01   0.00   0.01     0.01   0.01   0.02    -0.03  -0.02  -0.05
     9   6    -0.01  -0.01   0.01     0.06   0.07  -0.09    -0.01   0.05  -0.04
    10   1    -0.04   0.09  -0.02    -0.04   0.12  -0.02     0.13  -0.24   0.04
    11   1    -0.04  -0.07   0.01     0.18  -0.26   0.05    -0.47   0.56  -0.07
    12   1     0.02   0.06  -0.02    -0.32  -0.38   0.16     0.03  -0.32   0.10
    13   1     0.04   0.02  -0.05    -0.35  -0.16   0.37    -0.02   0.01   0.27
    14   1    -0.00   0.04  -0.04    -0.00  -0.31   0.43    -0.01  -0.15   0.13
    15   1    -0.48  -0.32  -0.07    -0.02  -0.01  -0.01     0.00   0.01   0.00
    16   1    -0.28   0.12  -0.01    -0.01   0.00  -0.00    -0.05   0.04   0.00
    17   1    -0.02   0.31   0.05    -0.00   0.01   0.00    -0.00   0.07   0.01
    18   1     0.25   0.13   0.05    -0.01  -0.00  -0.00     0.10   0.05   0.02
    19   1     0.49  -0.27  -0.00     0.04  -0.02  -0.01     0.10  -0.04   0.00
    20   1     0.01  -0.05   0.01     0.04  -0.13  -0.03    -0.08   0.30   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1483.9408              1491.0866              1498.3194
 Red. masses --      1.7018                 1.2132                 1.0754
 Frc consts  --      2.2080                 1.5892                 1.4224
 IR Inten    --      8.6459                 1.6731                 5.4576
 RamAct Fr= 1--      1.4401                 4.0457                 2.9562
  Dep-P Fr= 1--      0.7350                 0.7373                 0.5719
  Dep-U Fr= 1--      0.8473                 0.8488                 0.7276
 Alpha2 Fr= 1--      0.0004                 0.0009                 0.0099
 Beta2  Fr= 1--      0.2034                 0.5723                 0.3585
 AlphaG Fr= 1--      0.0031                 0.0071                 0.0167
 Gamma2 Fr= 1--      3.7635                -1.1540                 0.1331
 Delta2 Fr= 1--     -1.5180                 0.0877                 0.6178
 Raman1 Fr= 1--       5.760                 16.183                 11.825
 ROA1   Fr= 1--     312.720               -107.976                 32.548
 CID1   Fr= 1--      54.287                 -6.672                  2.753
 Raman2 Fr= 1--       2.440                  6.868                  4.302
 ROA2   Fr= 1--     102.468                -28.397                 -1.748
 CID2   Fr= 1--      41.989                 -4.135                 -0.406
 Raman3 Fr= 1--       4.881                 13.736                  8.604
 ROA3   Fr= 1--     312.720               -107.976                 32.548
 CID3   Fr= 1--      64.072                 -7.861                  3.783
 RC180  Fr= 1--       0.695                  0.698                  0.455
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.01  -0.01    -0.05   0.01  -0.00    -0.01   0.01  -0.00
     2   6     0.05   0.05   0.02     0.04   0.02   0.01     0.02  -0.00   0.00
     3   6     0.02  -0.12  -0.02     0.00  -0.06  -0.01     0.00  -0.02  -0.00
     4   6    -0.08   0.03  -0.00    -0.03   0.02   0.00    -0.00   0.01   0.00
     5   6     0.11   0.01   0.01     0.05   0.00   0.01     0.02  -0.00   0.00
     6   6     0.01  -0.09  -0.01    -0.00  -0.05  -0.01    -0.00  -0.01  -0.00
     7   6     0.01   0.02   0.00    -0.02   0.04   0.01    -0.04   0.00  -0.02
     8   7    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.01   0.00   0.01
     9   6     0.03  -0.03  -0.00    -0.02   0.04   0.02    -0.03  -0.01  -0.03
    10   1     0.05  -0.04   0.01    -0.01   0.00  -0.00    -0.03   0.06  -0.01
    11   1     0.06   0.00  -0.00     0.09  -0.09   0.04     0.12  -0.05  -0.03
    12   1    -0.42   0.18   0.00     0.55  -0.06  -0.05     0.16  -0.45   0.11
    13   1     0.10   0.03  -0.25    -0.31  -0.12   0.19     0.47   0.17   0.46
    14   1    -0.05   0.19   0.33     0.10  -0.39  -0.49    -0.04   0.47  -0.10
    15   1     0.11   0.16   0.03     0.01   0.06   0.01    -0.02   0.01  -0.00
    16   1    -0.22   0.19   0.01    -0.14   0.11   0.00    -0.06   0.04  -0.00
    17   1    -0.02   0.47   0.08    -0.02   0.23   0.04    -0.01   0.07   0.01
    18   1     0.26   0.23   0.07     0.07   0.09   0.03    -0.00   0.02   0.00
    19   1    -0.05   0.12   0.02    -0.05   0.07  -0.00    -0.06   0.03   0.01
    20   1    -0.00   0.01  -0.03     0.00  -0.01   0.01     0.02  -0.08   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1535.5593              1627.7437              1650.0400
 Red. masses --      2.1856                 5.4534                 4.4728
 Frc consts  --      3.0364                 8.5132                 7.1750
 IR Inten    --     12.7143                 1.2919                 3.0045
 RamAct Fr= 1--      0.3402                 8.0677                33.1525
  Dep-P Fr= 1--      0.7158                 0.7134                 0.6585
  Dep-U Fr= 1--      0.8344                 0.8327                 0.7941
 Alpha2 Fr= 1--      0.0002                 0.0051                 0.0542
 Beta2  Fr= 1--      0.0473                 1.1197                 4.3877
 AlphaG Fr= 1--      0.0022                 0.0115                 0.0356
 Gamma2 Fr= 1--     -0.7482                -0.3755                -1.5267
 Delta2 Fr= 1--      0.1907                 0.1069                -0.7760
 Raman1 Fr= 1--       1.361                 32.271                132.610
 ROA1   Fr= 1--     -65.725                -32.623               -171.394
 CID1   Fr= 1--     -48.301                 -1.011                 -1.292
 Raman2 Fr= 1--       0.568                 13.437                 52.653
 ROA2   Fr= 1--     -19.483                 -9.866                -30.432
 CID2   Fr= 1--     -34.321                 -0.734                 -0.578
 Raman3 Fr= 1--       1.135                 26.873                105.305
 ROA3   Fr= 1--     -65.725                -32.623               -171.394
 CID3   Fr= 1--     -57.890                 -1.214                 -1.628
 RC180  Fr= 1--       0.669                  0.665                  0.588
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.11  -0.03    -0.06  -0.20  -0.04    -0.24  -0.06  -0.04
     2   6    -0.08   0.09   0.01    -0.10   0.17   0.02     0.27  -0.07   0.02
     3   6     0.14   0.01   0.02     0.00  -0.29  -0.05    -0.19  -0.00  -0.02
     4   6    -0.06  -0.10  -0.02     0.10   0.20   0.04     0.24   0.08   0.04
     5   6    -0.12   0.09   0.00     0.08  -0.21  -0.03    -0.24   0.06  -0.02
     6   6     0.10   0.01   0.01    -0.02   0.36   0.06     0.12  -0.01   0.01
     7   6    -0.04   0.00  -0.01    -0.01   0.04   0.01     0.02  -0.01   0.01
     8   7     0.00   0.00   0.00    -0.01   0.00  -0.00    -0.03   0.02   0.01
     9   6    -0.01   0.00   0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
    10   1    -0.03   0.01  -0.00     0.09  -0.03   0.01     0.33  -0.11   0.04
    11   1    -0.01  -0.02   0.00     0.12  -0.02   0.01     0.02   0.04  -0.01
    12   1     0.09  -0.05   0.00     0.02  -0.01   0.00    -0.02   0.00   0.00
    13   1     0.01  -0.00   0.08    -0.02  -0.02   0.03    -0.01  -0.00  -0.01
    14   1     0.01   0.01  -0.09     0.01   0.00  -0.03     0.00  -0.02   0.02
    15   1     0.39   0.17   0.05    -0.33  -0.06  -0.03    -0.25  -0.24  -0.05
    16   1     0.44  -0.18   0.02    -0.25  -0.06  -0.04     0.22  -0.18  -0.00
    17   1     0.13  -0.02   0.01     0.02  -0.49  -0.09     0.13   0.03   0.02
    18   1     0.42   0.20   0.08     0.23  -0.04   0.02     0.19   0.21   0.06
    19   1     0.44  -0.16   0.01     0.29  -0.02   0.02    -0.30   0.22   0.01
    20   1     0.00  -0.02   0.01     0.01  -0.02  -0.05     0.08  -0.19  -0.26
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1658.2903              3013.5170              3025.4565
 Red. masses --      1.1455                 1.0828                 1.0358
 Frc consts  --      1.8559                 5.7936                 5.5859
 IR Inten    --     42.3108                13.9617                28.9157
 RamAct Fr= 1--      6.2158               161.7349               155.1363
  Dep-P Fr= 1--      0.5154                 0.1488                 0.0295
  Dep-U Fr= 1--      0.6802                 0.2590                 0.0573
 Alpha2 Fr= 1--      0.0285                 2.5082                 3.2170
 Beta2  Fr= 1--      0.7047                 6.9810                 1.4815
 AlphaG Fr= 1--     -0.0230                 2.6140                -1.1757
 Gamma2 Fr= 1--      1.1515                11.5702                -0.1128
 Delta2 Fr= 1--      1.6231                 7.5581                -0.0472
 Raman1 Fr= 1--      24.863                646.940                620.545
 ROA1   Fr= 1--     162.488               1352.599                -12.343
 CID1   Fr= 1--       6.535                  2.091                 -0.020
 Raman2 Fr= 1--       8.456                 83.772                 17.778
 ROA2   Fr= 1--      14.652                217.220                 -2.331
 CID2   Fr= 1--       1.733                  2.593                 -0.131
 Raman3 Fr= 1--      16.912                167.543                 35.556
 ROA3   Fr= 1--     162.488               1352.599                -12.343
 CID3   Fr= 1--       9.608                  8.073                 -0.347
 RC180  Fr= 1--       0.360                 -0.482                 -0.885
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.03   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.03   0.02   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.03  -0.01  -0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6     0.02  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.02  -0.01   0.02    -0.01  -0.03  -0.07     0.00   0.00   0.01
     8   7    -0.05   0.05   0.02     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00     0.00   0.00   0.01    -0.03  -0.02   0.04
    10   1     0.66  -0.21   0.08    -0.00  -0.00  -0.02     0.00  -0.00   0.00
    11   1    -0.01   0.04  -0.01     0.17   0.35   0.89    -0.02  -0.05  -0.12
    12   1     0.03   0.01  -0.01    -0.03  -0.07  -0.18    -0.11  -0.22  -0.57
    13   1    -0.01  -0.00   0.01    -0.00   0.01   0.00    -0.20   0.42   0.04
    14   1     0.01   0.00  -0.03     0.01   0.00   0.00     0.60   0.04   0.10
    15   1     0.01   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1    -0.02   0.02  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.02  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.03  -0.03  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1     0.04  -0.03  -0.00    -0.01  -0.01  -0.00    -0.00  -0.01  -0.00
    20   1     0.17  -0.43  -0.53    -0.00  -0.01  -0.00     0.00  -0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3088.8138              3100.6079              3161.3301
 Red. masses --      1.1026                 1.1003                 1.0852
 Frc consts  --      6.1982                 6.2323                 6.3902
 IR Inten    --     39.7956                28.3155                 5.8156
 RamAct Fr= 1--     91.5612                46.1462                31.2724
  Dep-P Fr= 1--      0.5690                 0.6921                 0.6646
  Dep-U Fr= 1--      0.7253                 0.8180                 0.7985
 Alpha2 Fr= 1--      0.3130                 0.0468                 0.0475
 Beta2  Fr= 1--     11.0678                 6.2916                 4.1620
 AlphaG Fr= 1--     -0.0576                 0.0154                -0.0865
 Gamma2 Fr= 1--     -8.0966                -3.8298                -1.9979
 Delta2 Fr= 1--     -6.3553                -0.6038                -0.1084
 Raman1 Fr= 1--     366.245                184.585                125.089
 ROA1   Fr= 1--    -980.645               -386.979               -195.264
 CID1   Fr= 1--      -2.678                 -2.096                 -1.561
 Raman2 Fr= 1--     132.814                 75.499                 49.944
 ROA2   Fr= 1--    -143.477                -87.084                -47.082
 CID2   Fr= 1--      -1.080                 -1.153                 -0.943
 Raman3 Fr= 1--     265.627                150.999                 99.889
 ROA3   Fr= 1--    -980.645               -386.979               -195.264
 CID3   Fr= 1--      -3.692                 -2.563                 -1.955
 RC180  Fr= 1--       0.451                  0.636                  0.597
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02   0.04   0.00
     2   6     0.00   0.00   0.00     0.00   0.01   0.00    -0.03  -0.05  -0.01
     3   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.02  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.03   0.00   0.00
     7   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6    -0.07  -0.02  -0.06     0.05  -0.07  -0.03     0.00  -0.00  -0.00
    10   1    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00   0.00  -0.00
    11   1     0.02   0.05   0.12     0.01   0.02   0.06     0.00   0.00   0.01
    12   1     0.09   0.23   0.62     0.07   0.11   0.33     0.00   0.00   0.01
    13   1    -0.00  -0.04  -0.02    -0.36   0.80   0.06    -0.02   0.05   0.00
    14   1     0.72   0.05   0.10    -0.28  -0.04  -0.05    -0.01  -0.00  -0.00
    15   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.03  -0.04  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.11   0.22   0.05
    17   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.33  -0.01  -0.04
    18   1     0.00  -0.00  -0.00    -0.01   0.01   0.00     0.30  -0.46  -0.05
    19   1    -0.00  -0.00  -0.00    -0.03  -0.06  -0.01     0.31   0.63   0.15
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3169.2611              3179.3424              3192.0255
 Red. masses --      1.0872                 1.0919                 1.0961
 Frc consts  --      6.4339                 6.5028                 6.5802
 IR Inten    --      1.3949                27.3939                19.9980
 RamAct Fr= 1--    119.8907                64.4559               228.7441
  Dep-P Fr= 1--      0.5885                 0.6905                 0.1060
  Dep-U Fr= 1--      0.7410                 0.8169                 0.1918
 Alpha2 Fr= 1--      0.3611                 0.0672                 3.9460
 Beta2  Fr= 1--     14.8057                 8.7757                 7.3106
 AlphaG Fr= 1--     -0.0821                -0.1194                -0.3252
 Gamma2 Fr= 1--      3.6198                 0.3288                -2.0679
 Delta2 Fr= 1--      1.8610                 2.3437                -2.9337
 Raman1 Fr= 1--     479.563                257.824                914.976
 ROA1   Fr= 1--     407.050                106.565               -292.393
 CID1   Fr= 1--       0.849                  0.413                 -0.320
 Raman2 Fr= 1--     177.668                105.309                 87.727
 ROA2   Fr= 1--      71.986                -10.858                -26.160
 CID2   Fr= 1--       0.405                 -0.103                 -0.298
 Raman3 Fr= 1--     355.336                210.618                175.454
 ROA3   Fr= 1--     407.050                106.565               -292.393
 CID3   Fr= 1--       1.146                  0.506                 -1.666
 RC180  Fr= 1--       0.482                  0.634                 -0.616
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.03  -0.04  -0.00    -0.03   0.04   0.01
     2   6     0.02   0.04   0.01    -0.02  -0.03  -0.01     0.01   0.02   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.01   0.01   0.00    -0.00   0.01   0.00    -0.01   0.01   0.00
     5   6    -0.03  -0.05  -0.01    -0.02  -0.04  -0.01    -0.01  -0.03  -0.01
     6   6     0.04   0.00   0.01    -0.03   0.00  -0.00    -0.06  -0.00  -0.01
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    11   1    -0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.01     0.00   0.00   0.01    -0.00  -0.00  -0.00
    13   1     0.01  -0.03  -0.00    -0.01   0.02   0.00     0.00  -0.01  -0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1     0.08  -0.13  -0.01     0.07  -0.12  -0.01     0.11  -0.17  -0.01
    16   1     0.31   0.62   0.14     0.23   0.45   0.10     0.13   0.27   0.06
    17   1    -0.49  -0.02  -0.06     0.34   0.01   0.04     0.71   0.03   0.08
    18   1     0.00  -0.00   0.00    -0.34   0.52   0.06     0.29  -0.46  -0.05
    19   1    -0.21  -0.42  -0.10     0.20   0.39   0.09    -0.10  -0.19  -0.04
    20   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3207.9651              3472.4785              3554.5498
 Red. masses --      1.0917                 1.0507                 1.0906
 Frc consts  --      6.6195                 7.4647                 8.1188
 IR Inten    --      5.2912                 0.3909                 0.6503
 RamAct Fr= 1--    126.5153               136.5766                83.9324
  Dep-P Fr= 1--      0.1266                 0.0849                 0.5214
  Dep-U Fr= 1--      0.2247                 0.1565                 0.6854
 Alpha2 Fr= 1--      2.0743                 2.4809                 0.3737
 Beta2  Fr= 1--      4.7386                 3.5626                 9.5878
 AlphaG Fr= 1--     -0.1491                 1.9974                -0.3040
 Gamma2 Fr= 1--      0.8536                 6.8573                 5.4573
 Delta2 Fr= 1--      0.0710                 3.2593                -2.0755
 Raman1 Fr= 1--     506.061                546.306                335.730
 ROA1   Fr= 1--      84.217                762.595                457.482
 CID1   Fr= 1--       0.166                  1.396                  1.363
 Raman2 Fr= 1--      56.864                 42.751                115.054
 ROA2   Fr= 1--      19.919                138.500                147.578
 CID2   Fr= 1--       0.350                  3.240                  1.283
 Raman3 Fr= 1--     113.727                 85.502                230.107
 ROA3   Fr= 1--      84.217                762.595                457.482
 CID3   Fr= 1--       0.741                  8.919                  1.988
 RC180  Fr= 1--      -0.551                 -0.687                  0.371
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.04  -0.07  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.01  -0.02  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.01   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.03  -0.02  -0.04    -0.06  -0.02  -0.05
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    10   1    -0.00  -0.00  -0.01     0.04   0.32   0.78    -0.00   0.19   0.49
    11   1    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.01   0.01
    12   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   1    -0.51   0.80   0.05    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1     0.12   0.23   0.05     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   1     0.10   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    18   1     0.03  -0.05  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   1    -0.01  -0.02  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   1    -0.00   0.00   0.00    -0.50  -0.03  -0.18     0.81   0.06   0.24

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   528.039191542.246921943.31143
           X            0.99994   0.01012  -0.00505
           Y           -0.01008   0.99991   0.00830
           Z            0.00513  -0.00825   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16403     0.05616     0.04457
 Rotational constants (GHZ):           3.41782     1.17020     0.92869
 Zero-point vibrational energy     455950.5 (Joules/Mol)
                                  108.97479 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     55.16   202.72   326.51   361.92   373.66
          (Kelvin)            480.09   570.30   597.59   669.11   746.97
                              859.38   919.27  1026.44  1082.27  1119.39
                             1232.21  1239.71  1323.98  1328.73  1384.57
                             1406.46  1464.83  1475.93  1518.41  1543.49
                             1592.85  1616.21  1704.44  1734.12  1740.01
                             1781.66  1914.35  1924.86  1958.93  2023.55
                             2033.95  2135.06  2145.34  2155.75  2209.33
                             2341.96  2374.04  2385.91  4335.78  4352.96
                             4444.11  4461.08  4548.45  4559.86  4574.36
                             4592.61  4615.55  4996.12  5114.20
 
 Zero-point correction=                           0.173662 (Hartree/Particle)
 Thermal correction to Energy=                    0.182142
 Thermal correction to Enthalpy=                  0.183086
 Thermal correction to Gibbs Free Energy=         0.140222
 Sum of electronic and zero-point Energies=           -366.225232
 Sum of electronic and thermal Energies=              -366.216752
 Sum of electronic and thermal Enthalpies=            -366.215808
 Sum of electronic and thermal Free Energies=         -366.258672
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.296             32.999             90.214
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.850
 Vibrational            112.518             27.038             21.076
 Vibration     1          0.594              1.982              5.343
 Vibration     2          0.615              1.912              2.792
 Vibration     3          0.651              1.800              1.903
 Vibration     4          0.664              1.760              1.720
 Vibration     5          0.668              1.746              1.664
 Vibration     6          0.715              1.608              1.242
 Vibration     7          0.763              1.478              0.976
 Vibration     8          0.779              1.437              0.908
 Vibration     9          0.823              1.328              0.752
 Vibration    10          0.874              1.208              0.612
 Vibration    11          0.955              1.038              0.454
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.317921D-64        -64.497680       -148.511397
 Total V=0       0.240658D+16         15.381401         35.416985
 Vib (Bot)       0.134797D-77        -77.870319       -179.303036
 Vib (Bot)    1  0.539747D+01          0.732190          1.685930
 Vib (Bot)    2  0.144279D+01          0.159203          0.366580
 Vib (Bot)    3  0.869067D+00         -0.060947         -0.140335
 Vib (Bot)    4  0.775309D+00         -0.110525         -0.254494
 Vib (Bot)    5  0.747992D+00         -0.126103         -0.290363
 Vib (Bot)    6  0.558688D+00         -0.252830         -0.582164
 Vib (Bot)    7  0.450847D+00         -0.345971         -0.796627
 Vib (Bot)    8  0.424249D+00         -0.372380         -0.857436
 Vib (Bot)    9  0.364206D+00         -0.438652         -1.010035
 Vib (Bot)   10  0.311141D+00         -0.507042         -1.167508
 Vib (Bot)   11  0.250686D+00         -0.600869         -1.383553
 Vib (V=0)       0.102038D+03          2.008762          4.625346
 Vib (V=0)    1  0.592058D+01          0.772364          1.778434
 Vib (V=0)    2  0.202697D+01          0.306848          0.706544
 Vib (V=0)    3  0.150264D+01          0.176854          0.407221
 Vib (V=0)    4  0.142255D+01          0.153068          0.352453
 Vib (V=0)    5  0.139972D+01          0.146041          0.336271
 Vib (V=0)    6  0.124976D+01          0.096825          0.222948
 Vib (V=0)    7  0.117325D+01          0.069390          0.159776
 Vib (V=0)    8  0.115573D+01          0.062858          0.144735
 Vib (V=0)    9  0.111858D+01          0.048669          0.112064
 Vib (V=0)   10  0.108890D+01          0.036990          0.085172
 Vib (V=0)   11  0.105932D+01          0.025029          0.057631
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.450326D+06          5.653527         13.017727
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3       3333333 33                                              111 1111 11111 1111111111                                    
     5  4       2111110 00                                              666 5444 44333 2221110000999988  777  65  5 443  3222  1     
     5  7       0976608 21                                              552 3998 10633 3008207521762265  751  39  1 619  3652  4   3 
     5  2       8299119 54                                              808 6814 46281 8955373568824026  823  97  9 556  4027  1   8 
 
     X  X       XXXXXXX XX                                              XXX XXXX XXXXX XXXXXXXX XXXXXXX  XXX   X  X X X  XXXX  X   X 
                 XX  XX XX                                              X   X  X X   X X     X      XXX  XXX   X      X   XX         
                 XX  XX XX                                              X   X    X           X      XXX  XXX              XX         
                 XX  XX X                                               X                    X      XX   X X               X         
                  X  XX X                                               X                            X     X               X         
                  X  XX X                                               X                            X     X               X         
                      X                                                 X                            X     X                         
                      X                                                 X                            X     X                         
                                                                        X                            X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000019142   -0.000008689   -0.000002759
      2        6           0.000019496   -0.000009202    0.000000084
      3        6          -0.000005228    0.000026183    0.000008564
      4        6          -0.000009708   -0.000006748    0.000002181
      5        6           0.000017954   -0.000014374   -0.000002234
      6        6          -0.000003754    0.000020646    0.000002007
      7        6           0.000013547   -0.000023370   -0.000003121
      8        7          -0.000004167    0.000013031   -0.000006605
      9        6          -0.000000210    0.000004249   -0.000004161
     10        1          -0.000001731   -0.000001449    0.000008296
     11        1          -0.000002998    0.000001177   -0.000001633
     12        1           0.000001379   -0.000000241    0.000001918
     13        1           0.000002069    0.000002363   -0.000000501
     14        1           0.000000902    0.000000221    0.000000946
     15        1           0.000001241   -0.000003242   -0.000003045
     16        1          -0.000001187   -0.000000087   -0.000000091
     17        1          -0.000000722   -0.000000555    0.000000446
     18        1           0.000001207    0.000001662   -0.000002758
     19        1          -0.000002758    0.000000707   -0.000000261
     20        1          -0.000006191   -0.000002281    0.000002726
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000026183 RMS     0.000008194
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.137050D+03  0.878971D+00  0.223294D+01
      2   0.878971D+00  0.113028D+03  0.397096D+01
      3   0.223294D+01  0.397096D+01  0.756087D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.577469D+00 -0.235326D+00  0.234813D+01
      2   0.124338D+02  0.120449D+02 -0.928625D+01
      3   0.910952D+00 -0.291298D+02 -0.123722D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.639416D+02  0.234178D+01  0.871670D+01
      2  -0.263693D+02 -0.612053D+01 -0.130038D+02
      3  -0.375723D+02  0.377875D+01  0.428709D+01
      4  -0.137917D+02  0.483436D+02  0.278960D+02
      5   0.209267D+02  0.296122D+02 -0.237680D+02
      6   0.933081D+01  0.581753D+01 -0.674383D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.273151D+01 -0.328611D+00 -0.514619D+00 -0.578404D+01 -0.384633D+00
      2  -0.328611D+00  0.269783D+01  0.796956D+00 -0.384633D+00 -0.769811D+00
      3  -0.514619D+00  0.796956D+00  0.153080D+01 -0.857181D+00  0.979749D+00
                 6             7             8             9            10 
      1  -0.857181D+00 -0.200084D+01 -0.225196D+00  0.288797D+01  0.365842D+01
      2   0.979749D+00 -0.225196D+00  0.145864D+01 -0.338371D+01  0.192060D+01
      3  -0.216646D+01  0.288797D+01 -0.338371D+01 -0.118474D+01  0.642395D+00
                11            12            13            14            15 
      1   0.192060D+01  0.642395D+00 -0.686441D+01 -0.733277D+00  0.174147D+00
      2  -0.314302D+01  0.159164D+00 -0.733277D+00 -0.161164D+01  0.872831D+00
      3   0.159164D+00 -0.130885D+01  0.174147D+00  0.872831D+00 -0.133270D+01
                16            17            18            19            20 
      1   0.483752D-01  0.880549D+00 -0.820652D+00 -0.178531D+02 -0.254075D+01
      2   0.880549D+00  0.476573D+00 -0.321045D+01 -0.254075D+01 -0.251610D+01
      3  -0.820652D+00 -0.321045D+01 -0.216726D+01 -0.808253D+00 -0.263730D+00
                21            22            23            24            25 
      1  -0.808253D+00 -0.337892D+01  0.149849D+01  0.972064D+00 -0.798373D+00
      2  -0.263730D+00  0.149849D+01  0.125313D-01  0.216037D-01  0.873189D+00
      3  -0.191922D+01  0.972064D+00  0.216037D-01 -0.449415D+00 -0.367277D+01
                26            27            28            29            30 
      1   0.873189D+00 -0.367277D+01  0.436957D+01 -0.835762D+00  0.357408D+00
      2   0.108806D+00 -0.511290D+00 -0.835762D+00 -0.339019D+01 -0.836569D+00
      3  -0.511290D+00 -0.139243D+01  0.357408D+00 -0.836569D+00 -0.197097D+01
                31            32            33            34            35 
      1   0.818709D+01 -0.418505D-01  0.126248D+00  0.271812D+01 -0.180637D+00
      2  -0.418505D-01  0.181845D+01 -0.435545D+00 -0.180637D+00 -0.963531D+00
      3   0.126248D+00 -0.435545D+00  0.172247D+01 -0.165352D+01  0.333090D+01
                36            37            38            39            40 
      1  -0.165352D+01 -0.349404D+01 -0.151958D+00 -0.541045D+00  0.523423D+01
      2   0.333090D+01 -0.151958D+00  0.284525D+01 -0.183752D+00  0.462190D-01
      3   0.920024D+00 -0.541045D+00 -0.183752D+00  0.946084D+00 -0.179257D+00
                41            42            43            44            45 
      1   0.462190D-01 -0.179257D+00  0.166423D+00 -0.911386D+00  0.225217D+01
      2   0.108739D+01 -0.855900D+00 -0.911386D+00 -0.806854D+00  0.379539D+01
      3  -0.855900D+00  0.207545D+01  0.225217D+01  0.379539D+01  0.234477D+01
                46            47            48            49            50 
      1   0.603667D+01  0.303963D+00 -0.590458D+00  0.935109D+00 -0.777674D+00
      2   0.303963D+00  0.307434D+01  0.515979D-01 -0.777674D+00 -0.106936D+00
      3  -0.590458D+00  0.515979D-01  0.279979D+01 -0.116000D+01 -0.305772D+00
                51            52            53            54            55 
      1  -0.116000D+01 -0.295142D+00 -0.109145D+01  0.532913D+01  0.399078D+01
      2  -0.305772D+00 -0.109145D+01  0.286991D+00  0.844589D-01  0.192551D+01
      3  -0.732588D-01  0.532913D+01  0.844589D-01  0.127728D+01  0.210187D+00
                56            57            58            59            60 
      1   0.192551D+01  0.210187D+00  0.663013D+01  0.415570D+01 -0.987422D+00
      2   0.291023D+01 -0.147033D+01  0.415570D+01  0.903766D+00 -0.141958D+00
      3  -0.147033D+01  0.189432D+01 -0.987422D+00 -0.141958D+00  0.387774D+01
                61            62            63            64            65 
      1   0.446014D+00 -0.159116D+01  0.341707D+01  0.749579D+01  0.473630D+00
      2  -0.159116D+01 -0.199071D+01  0.405459D+01  0.473630D+00 -0.130173D+01
      3   0.341707D+01  0.405459D+01  0.521802D+01  0.105986D+01  0.120897D+01
                66            67            68            69            70 
      1   0.105986D+01 -0.721429D-01 -0.200339D+01  0.162527D+01  0.129365D+01
      2   0.120897D+01 -0.200339D+01  0.231091D+01 -0.126772D+01  0.145716D+01
      3  -0.138551D+00  0.162527D+01 -0.126772D+01 -0.225170D+01  0.505934D-01
                71            72            73            74            75 
      1   0.145716D+01  0.505934D-01  0.864976D+01  0.959407D+00  0.156747D+01
      2  -0.102976D+01 -0.150318D+01  0.959407D+00 -0.372606D+01  0.121329D+01
      3  -0.150318D+01 -0.474362D+01  0.156747D+01  0.121329D+01 -0.171574D+01
                76            77            78            79            80 
      1  -0.258618D+01 -0.383109D+01  0.159809D+01  0.451892D+01  0.213961D+01
      2  -0.383109D+01  0.323125D+01  0.510551D+00  0.213961D+01  0.201749D+01
      3   0.159809D+01  0.510551D+00 -0.304679D+01 -0.186069D+01 -0.313152D+01
                81            82            83            84            85 
      1  -0.186069D+01  0.160825D+00  0.386873D+00  0.370420D+00  0.137247D+01
      2  -0.313152D+01  0.386873D+00  0.830550D-01 -0.268588D+00 -0.769935D+00
      3  -0.449716D+01  0.370420D+00 -0.268588D+00  0.427054D+00 -0.793437D+00
                86            87            88            89            90 
      1  -0.769935D+00 -0.793437D+00  0.220815D+01 -0.113276D+01 -0.108053D+01
      2   0.221497D+01  0.930435D+00 -0.113276D+01  0.241357D+01  0.250900D+01
      3   0.930435D+00  0.271197D+01 -0.108053D+01  0.250900D+01  0.479839D+01
                91            92            93            94            95 
      1  -0.185842D+01 -0.688470D+00 -0.156423D+01 -0.266073D+01 -0.160075D+01
      2  -0.688470D+00 -0.748568D+00 -0.207441D+00 -0.160075D+01 -0.132527D+01
      3  -0.156423D+01 -0.207441D+00 -0.140085D+01 -0.547813D+00 -0.141576D+01
                96            97            98            99           100 
      1  -0.547813D+00 -0.428599D+01 -0.509059D+00 -0.279009D+01 -0.365798D+00
      2  -0.141576D+01 -0.509059D+00 -0.155337D+01 -0.194433D+01  0.237518D-01
      3  -0.222142D+01 -0.279009D+01 -0.194433D+01 -0.725275D+01  0.594868D+00
               101           102           103           104           105 
      1   0.237518D-01  0.594868D+00  0.102547D+01  0.196412D+00 -0.512830D+00
      2   0.597390D+00 -0.145267D+00  0.196412D+00  0.346513D+00  0.899527D+00
      3  -0.145267D+00  0.105100D+01 -0.512830D+00  0.899527D+00  0.220383D+01
               106           107           108           109           110 
      1   0.131163D+01  0.127922D+00 -0.563517D+00  0.913742D+00 -0.776961D+00
      2   0.127922D+00  0.143725D+01  0.440291D+00 -0.776961D+00  0.206408D+01
      3  -0.563517D+00  0.440291D+00  0.717079D+01 -0.356934D+00 -0.482489D+00
               111           112           113           114           115 
      1  -0.356934D+00 -0.199940D+01  0.668461D+00  0.116647D+00 -0.664262D+00
      2  -0.482489D+00  0.668461D+00 -0.819063D+01  0.761464D+00 -0.300226D+00
      3   0.690437D+00  0.116647D+00  0.761464D+00 -0.123794D+01  0.254039D+00
               116           117           118           119           120 
      1  -0.300226D+00  0.254039D+00 -0.126265D+02 -0.242503D+01  0.723151D-01
      2  -0.178137D+00 -0.662693D+00 -0.242503D+01 -0.154682D+01  0.162357D+00
      3  -0.662693D+00  0.429003D+00  0.723151D-01  0.162357D+00 -0.128721D+01
               121           122           123           124           125 
      1  -0.628178D+00 -0.108938D+01 -0.205566D+00 -0.223024D+01 -0.461486D+00
      2  -0.108938D+01 -0.103640D+01 -0.467443D-01 -0.461486D+00 -0.653861D+00
      3  -0.205566D+00 -0.467443D-01  0.183164D+00 -0.101787D+01 -0.137842D-01
               126           127           128           129           130 
      1  -0.101787D+01 -0.321943D+01  0.201250D+01 -0.120868D+00  0.245251D+01
      2  -0.137842D-01  0.201250D+01 -0.218778D+01 -0.209979D+00 -0.252040D+01
      3   0.748563D-01 -0.120868D+00 -0.209979D+00 -0.176354D+00 -0.216570D+00
               131           132           133           134           135 
      1  -0.252040D+01 -0.216570D+00 -0.330405D+00 -0.772369D-01  0.164575D-01
      2   0.666796D+01  0.471180D+00 -0.772369D-01  0.429742D+00  0.122159D+00
      3   0.471180D+00  0.872581D+00  0.164575D-01  0.122159D+00 -0.438755D-01
               136           137           138           139           140 
      1   0.290909D+01  0.294937D+01  0.717607D+00  0.283756D+01  0.406772D+01
      2   0.294937D+01  0.314309D+01  0.720434D+00  0.406772D+01  0.855923D+01
      3   0.717607D+00  0.720434D+00  0.620324D+00  0.817416D+00  0.159849D+01
               141           142           143           144           145 
      1   0.817416D+00  0.781573D+00  0.975467D+00  0.289836D+00  0.132352D+02
      2   0.159849D+01  0.975467D+00  0.177701D+01  0.367108D+00  0.379363D+00
      3   0.122744D+01  0.289836D+00  0.367108D+00  0.280260D+00  0.127064D+01
               146           147           148           149           150 
      1   0.379363D+00  0.127064D+01  0.296704D+00  0.156688D+01  0.323172D+00
      2   0.866869D+00  0.127874D-01  0.156688D+01  0.138843D+00  0.159109D+00
      3   0.127874D-01  0.112575D+01  0.323172D+00  0.159109D+00  0.990741D-01
               151           152           153           154           155 
      1   0.148566D+01  0.342791D+00  0.937208D-01  0.401487D+01 -0.348989D+01
      2   0.342791D+00  0.103601D+00  0.284169D-01 -0.348989D+01  0.351286D+01
      3   0.937208D-01  0.284169D-01  0.139313D+00 -0.328050D+00  0.269564D+00
               156           157           158           159           160 
      1  -0.328050D+00 -0.347135D+01  0.442639D+01  0.626952D+00 -0.295595D+00
      2   0.269564D+00  0.442639D+01 -0.748738D+01 -0.873568D+00  0.439898D+00
      3   0.568149D+00  0.626952D+00 -0.873568D+00 -0.954722D+00  0.747023D-01
               161           162           163           164           165 
      1   0.439898D+00  0.747023D-01 -0.212459D+01 -0.185947D+01 -0.386117D+00
      2  -0.101475D+01 -0.224097D+00 -0.185947D+01 -0.202064D+01 -0.615074D+00
      3  -0.224097D+00 -0.163412D+00 -0.386117D+00 -0.615074D+00 -0.428540D+00
               166           167           168           169           170 
      1  -0.198954D+01 -0.231569D+01 -0.489630D+00 -0.576779D+00 -0.740154D+00
      2  -0.231569D+01 -0.719618D+01 -0.163182D+01 -0.740154D+00 -0.169785D+01
      3  -0.489630D+00 -0.163182D+01 -0.124650D+01 -0.153780D+00 -0.519564D+00
               171           172           173           174           175 
      1  -0.153780D+00 -0.111613D+02  0.176193D+01 -0.165261D+01  0.463614D+00
      2  -0.519564D+00  0.176193D+01 -0.121409D+01  0.881008D-01 -0.558190D+00
      3  -0.421808D+00 -0.165261D+01  0.881008D-01 -0.130742D+01 -0.430300D+00
               176           177           178           179           180 
      1  -0.558190D+00 -0.430300D+00 -0.350088D+01 -0.158414D-01 -0.105228D+01
      2   0.432454D+00 -0.230160D+00 -0.158414D-01 -0.620844D+00  0.372309D+00
      3  -0.230160D+00  0.719027D-02 -0.105228D+01  0.372309D+00 -0.785650D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.112864D+01 -0.323095D+00  0.279684D+01 -0.129773D+01  0.321433D+00
      2  -0.750685D+00  0.243823D+01  0.198694D+01 -0.887135D+00  0.318665D+01
      3  -0.150035D+01 -0.134549D+02 -0.235639D+01  0.433724D+01 -0.969801D+00
                 6             7             8             9            10 
      1  -0.242954D+01  0.669163D+01  0.279429D+01  0.101814D+01  0.105151D+00
      2  -0.569595D+01 -0.549393D+01 -0.100547D+02 -0.359203D+01  0.312160D+01
      3  -0.219064D+01 -0.116825D+00 -0.445823D+01  0.399006D+01  0.711727D-01
                11            12            13            14            15 
      1   0.991587D+00 -0.239849D+01  0.115181D+01 -0.813673D+00 -0.253223D+01
      2   0.141450D+01 -0.108506D+01  0.129152D+01 -0.143908D+01 -0.143645D+01
      3  -0.115445D+01 -0.153507D+01  0.868850D+00  0.769705D+01  0.131106D+00
                16            17            18            19            20 
      1  -0.555754D+01  0.216640D+01 -0.754839D+00  0.740589D+00 -0.649955D+00
      2  -0.135268D+02 -0.118531D+01 -0.253934D+01  0.199088D-01 -0.141534D+01
      3  -0.485031D+01 -0.206652D+00  0.580503D+01 -0.699161D+01  0.767631D+01
                21            22            23            24            25 
      1  -0.771673D+00 -0.281225D+01 -0.145559D+01  0.133862D+01  0.121390D+01
      2  -0.187587D+01 -0.162237D+01  0.536900D+00  0.696781D+00 -0.134144D+02
      3   0.465374D+00  0.157390D+02  0.261501D+00  0.452690D+00  0.519581D-01
                26            27            28            29            30 
      1   0.103287D+02  0.207671D+01 -0.935490D+00 -0.236922D+00  0.306641D+01
      2   0.672887D+00 -0.641731D+00  0.222267D+01 -0.155616D+00 -0.938941D+00
      3   0.283031D+01 -0.853660D+00  0.659916D+01 -0.626139D+00  0.161092D+01
                31            32            33            34            35 
      1  -0.912186D+00 -0.126187D+00 -0.234874D+01  0.493681D+01  0.222763D+01
      2   0.364098D+01  0.121503D+01  0.759057D+00 -0.131835D+02  0.385499D+00
      3   0.619787D+01 -0.603618D+01  0.971994D-01  0.214933D+01 -0.113281D+00
                36            37            38            39            40 
      1  -0.380009D-01  0.889340D+00  0.602540D+00 -0.175077D+01  0.103050D+01
      2  -0.334753D+00 -0.174656D-01  0.112083D+01 -0.513853D-01  0.813002D+00
      3  -0.517103D+01 -0.326337D+01 -0.100219D+02 -0.205891D+01  0.552667D+01
                41            42            43            44            45 
      1   0.103323D-01 -0.295263D+01 -0.549067D+01  0.187966D+01 -0.114843D+01
      2  -0.282456D+01  0.592743D+01 -0.755767D+01  0.960290D+01  0.349211D+01
      3  -0.221734D+01  0.172949D+01 -0.520414D+00  0.117788D+01 -0.509393D+01
                46            47            48            49            50 
      1   0.170389D+00 -0.842891D+00 -0.580871D+00 -0.132117D+01 -0.265183D+01
      2  -0.246915D+00 -0.225149D+00  0.830819D+01 -0.346337D+01 -0.306240D+00
      3   0.536548D+00 -0.740002D+01  0.341726D+00  0.114003D+02  0.336161D+01
                51            52            53            54            55 
      1   0.251760D+01 -0.947826D+00  0.110823D+02  0.247013D+01 -0.194002D+01
      2  -0.591265D+00  0.851060D+01  0.447002D+00  0.269264D+01  0.145357D+01
      3   0.184898D+01  0.316768D+01  0.123157D+01  0.994241D+00  0.693403D+01
                56            57            58            59            60 
      1   0.276866D-01 -0.773344D-01 -0.216987D+01 -0.112811D+01  0.167648D+01
      2   0.262561D+01 -0.189362D+01  0.358428D+01  0.183302D+01 -0.549718D+01
      3   0.286478D+01 -0.180586D+01  0.119691D+02 -0.454241D+01  0.130701D+01
                61            62            63            64            65 
      1   0.410507D+01  0.677143D+01 -0.771924D+00 -0.267594D+01 -0.185582D+01
      2  -0.121927D+02 -0.801393D+01 -0.793305D+01  0.318668D+00 -0.199244D+01
      3  -0.111041D+01 -0.538036D+01  0.830360D+01  0.171347D+02 -0.878677D+01
                66            67            68            69            70 
      1   0.621506D+00 -0.122320D+01 -0.967412D+00 -0.181272D+00 -0.437943D+01
      2   0.440404D+01 -0.223198D+01  0.214938D+01  0.519873D+01 -0.367806D+01
      3   0.525892D+01  0.269500D+01  0.488171D+01 -0.204568D+01  0.515787D+01
                71            72            73            74            75 
      1   0.810383D+01  0.954200D+01  0.436930D+01 -0.202981D+01 -0.215449D+01
      2   0.594414D+01  0.105724D+02 -0.111968D+02 -0.491771D+01  0.631948D+01
      3  -0.985701D+00 -0.465082D+01 -0.899261D+01 -0.162792D+02  0.888633D+00
                76            77            78            79            80 
      1   0.437588D-01  0.904623D+01 -0.743830D+01 -0.117715D+01 -0.279043D+01
      2  -0.626114D+01  0.523977D+00  0.658884D+01  0.121957D+01  0.679168D+01
      3  -0.973976D+01  0.186211D+02 -0.416250D+00  0.161160D+01  0.158654D+01
                81            82            83            84            85 
      1  -0.778044D+01 -0.371423D+00  0.628195D+00 -0.628313D+00  0.158783D+01
      2   0.126033D+02 -0.159796D+01  0.944896D+00 -0.639522D+00  0.192397D+01
      3  -0.655815D+01  0.236851D+01  0.473304D+00 -0.170411D+00  0.118203D+01
                86            87            88            89            90 
      1  -0.217062D+01 -0.620492D+01  0.282284D+01 -0.281362D+01 -0.110201D+02
      2  -0.250724D+01 -0.705982D+01  0.512106D-01 -0.666893D+01 -0.112535D+02
      3   0.448585D+01  0.142753D+01  0.115992D+01  0.627376D+01  0.602611D+01
                91            92            93            94            95 
      1  -0.916849D+00  0.121628D+01 -0.464160D+00  0.128446D+01  0.705056D+00
      2   0.157444D+01  0.428552D+00  0.289412D+01 -0.413616D+00  0.133441D+01
      3  -0.167842D+01 -0.383693D+01 -0.376693D+00 -0.148062D+01 -0.157204D+01
                96            97            98            99           100 
      1  -0.139799D+01 -0.133327D+01  0.207411D+01 -0.127358D+01  0.695217D+00
      2   0.396271D+01  0.656456D+00  0.314688D+01  0.116834D+02 -0.181897D+01
      3  -0.318235D+01  0.161119D+00 -0.328272D+01 -0.428808D+01  0.559152D+00
               101           102           103           104           105 
      1   0.103185D+01  0.112343D+01  0.100978D+00  0.219850D+01  0.205444D+01
      2   0.823996D-01 -0.217240D+01 -0.258872D+00 -0.239454D+01 -0.523712D+01
      3   0.112489D+01 -0.681014D+00  0.123513D+01  0.619548D+00  0.225963D+01
               106           107           108           109           110 
      1  -0.407010D+00  0.489162D+01  0.102491D+02 -0.198130D+01  0.169129D+01
      2  -0.310646D+01 -0.179540D+01 -0.175106D+02 -0.194694D+00  0.154868D+01
      3  -0.129530D+01  0.378210D+01  0.208926D+01 -0.704122D+01  0.722874D+01
               111           112           113           114           115 
      1   0.169950D+01  0.174765D+01 -0.607119D+01 -0.367739D+01  0.804591D+00
      2  -0.111180D+01  0.145998D+01 -0.288012D+01  0.219867D+01 -0.151199D+01
      3  -0.206875D-01  0.971891D+01 -0.225955D+02  0.144351D+01  0.130703D+01
               116           117           118           119           120 
      1  -0.119934D+00  0.522625D+00 -0.498716D+00 -0.851326D+00 -0.216248D+01
      2   0.113112D+01 -0.899986D+00  0.725098D+01  0.739746D+00  0.692955D+01
      3  -0.638446D+00 -0.211626D+01  0.100344D+02 -0.497911D+01  0.673206D+00
               121           122           123           124           125 
      1  -0.386958D+00 -0.769051D+00 -0.420487D+00 -0.122523D+01  0.749918D+00
      2   0.138670D+01  0.542221D+00 -0.271072D+00  0.192069D+01 -0.212127D+00
      3   0.274343D+00 -0.216746D+01 -0.223318D+00  0.543148D+00 -0.131773D+01
               126           127           128           129           130 
      1  -0.208908D-01  0.107455D+01 -0.291006D+00  0.152885D+01  0.234619D-02
      2   0.219845D+00  0.153672D+01 -0.275088D-01 -0.229752D+00 -0.472943D+00
      3   0.131827D+01 -0.105119D+02  0.440353D+01 -0.538061D+00  0.851978D+01
               131           132           133           134           135 
      1  -0.560416D-01 -0.354702D+01 -0.374154D+00  0.185790D+01  0.213607D+00
      2   0.782598D+00 -0.764742D+00 -0.150958D+01  0.402016D+00 -0.107753D+00
      3  -0.627133D+01 -0.713232D+00 -0.731132D+00  0.713994D-01 -0.129781D-01
               136           137           138           139           140 
      1  -0.245922D+00  0.147264D-01 -0.202762D+01 -0.129038D+00  0.479379D+00
      2   0.538524D+00  0.852194D+00  0.223336D+01  0.666121D+00  0.254117D+01
      3  -0.106566D+01 -0.352483D+01 -0.521054D+00 -0.183494D+01 -0.130369D+02
               141           142           143           144           145 
      1  -0.423969D+01  0.578173D+00  0.198702D+01 -0.567595D+00 -0.112224D+00
      2   0.367107D+01 -0.607128D+00 -0.153461D+00  0.646865D+00  0.186403D+01
      3  -0.217968D+01 -0.292458D+00 -0.250799D+01 -0.275635D+00  0.334297D+00
               146           147           148           149           150 
      1   0.435059D+00 -0.223872D+00  0.202848D+00 -0.189708D-01 -0.351003D+00
      2  -0.128114D+00  0.677500D+01  0.125495D+01  0.328605D+00  0.398865D+00
      3  -0.560773D+01  0.226865D+00 -0.367365D+01 -0.223855D+00 -0.367692D+00
               151           152           153           154           155 
      1   0.332107D-01  0.568093D+00  0.730007D-02  0.246125D+00 -0.610959D+00
      2  -0.271841D+01  0.437385D-01  0.584962D+00  0.267442D+00 -0.321018D+00
      3  -0.119604D+01 -0.546297D+00 -0.253204D+00  0.124717D+01 -0.481448D+01
               156           157           158           159           160 
      1   0.219791D+01  0.250224D+00  0.231280D+00 -0.383158D+01 -0.856667D+00
      2   0.249553D+01  0.455208D+00 -0.953505D+00 -0.343138D+01 -0.805867D+00
      3  -0.381733D-01 -0.291643D+01  0.121438D+02  0.101983D+01 -0.603874D+00
               161           162           163           164           165 
      1   0.164667D+01 -0.299634D+00  0.757154D+00  0.391982D+00 -0.168806D+01
      2   0.552952D+00 -0.347247D+00 -0.160047D+01 -0.880324D+00  0.166555D+00
      3   0.193403D+01  0.268411D+00  0.789673D+01  0.419166D+01  0.664723D+00
               166           167           168           169           170 
      1   0.708510D+00  0.101326D+01 -0.383150D+01  0.378996D+00  0.237832D+01
      2  -0.166494D+01 -0.160125D+01  0.385937D+00 -0.191415D+01 -0.529464D+00
      3   0.808643D+01  0.794403D+01  0.180895D+01  0.150188D+01  0.237178D+01
               171           172           173           174           175 
      1  -0.516913D+00  0.175872D+01  0.660583D+00  0.189370D+01  0.102470D+01
      2   0.172321D+00 -0.162780D+01 -0.147047D+00  0.529024D+01  0.799645D+00
      3   0.282027D+00 -0.131112D+02 -0.399197D+01 -0.201428D+01  0.420293D+00
               176           177           178           179           180 
      1   0.237846D+00 -0.750428D-02  0.624195D+00  0.731322D+00  0.790198D-01
      2  -0.674094D-01  0.196890D+00  0.336601D+00 -0.947023D+00  0.137505D+01
      3   0.561021D-01 -0.109002D+01 -0.609478D+01 -0.182196D+01  0.196747D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.208179D+01  0.223908D+02  0.478720D+01 -0.250889D+02  0.667146D+01
      2  -0.423947D+01 -0.131973D+02  0.331238D+00  0.247507D+02 -0.113465D+02
      3   0.215768D+01 -0.919347D+01 -0.511843D+01  0.338148D+00  0.467506D+01
      4   0.187026D+02  0.254535D+01  0.469355D+01  0.656606D+01  0.119703D+02
      5   0.526001D+00  0.432305D+01  0.426485D+01 -0.292206D+01  0.753422D+01
      6   0.241956D+01 -0.255729D+01 -0.652534D+01  0.620576D+01 -0.545784D+01
                 6             7             8             9            10 
      1   0.138402D+01 -0.765753D+01  0.618494D+01  0.287349D+00  0.865212D+01
      2  -0.138303D+01  0.858859D+01 -0.840001D+01 -0.698222D+01 -0.685566D+01
      3  -0.992487D-03 -0.931059D+00  0.221507D+01  0.669487D+01 -0.179646D+01
      4   0.826219D+01  0.228361D+01  0.701290D+01 -0.147445D+02 -0.118237D+02
      5  -0.118804D+02  0.187104D+02 -0.148440D+02 -0.769838D+01 -0.549515D+00
      6   0.593449D+01 -0.732316D+01  0.132808D+02 -0.444117D+00 -0.276585D+01
                11            12            13            14            15 
      1  -0.134163D+02  0.353484D-01  0.253635D+01  0.713340D+01  0.462314D+01
      2   0.100493D+02 -0.154217D+01 -0.907030D+01 -0.993870D+01 -0.563744D+01
      3   0.336702D+01  0.150682D+01  0.653395D+01  0.280530D+01  0.101429D+01
      4  -0.169043D+02 -0.422270D+01  0.107850D+02 -0.124578D+02 -0.154807D+01
      5  -0.411974D+01 -0.414759D+01  0.100583D+01 -0.169198D+01 -0.106268D+01
      6  -0.241801D+01  0.526488D+01 -0.471168D+01 -0.861936D+01  0.314700D+01
                16            17            18            19            20 
      1   0.216389D+01  0.135512D+01 -0.154713D+02 -0.221270D+02 -0.332158D+00
      2  -0.405638D+01 -0.672768D+01  0.750017D+00  0.756616D+01  0.608595D+00
      3   0.189248D+01  0.537257D+01  0.147213D+02  0.145609D+02 -0.276438D+00
      4   0.207397D+00 -0.392459D+01 -0.599208D+01  0.124454D+02  0.204647D+01
      5  -0.140944D+00 -0.529928D+01 -0.554249D+01  0.110876D+01  0.672633D+00
      6   0.333785D+01  0.118587D+02  0.425730D+01 -0.825835D+00 -0.226179D+00
                21            22            23            24            25 
      1   0.690719D+00  0.204159D+00 -0.638758D+01  0.408322D+00 -0.844049D+01
      2  -0.905407D+00 -0.149921D+01  0.124987D+02  0.352903D+01  0.203431D+01
      3   0.214689D+00  0.129505D+01 -0.611114D+01 -0.393735D+01  0.640618D+01
      4   0.110184D+01 -0.885636D+01 -0.293377D+01 -0.148038D+01 -0.284796D+01
      5  -0.111103D+01 -0.334851D+01 -0.737910D+00  0.168513D+01  0.347063D+01
      6   0.544039D-01 -0.239121D+01  0.219869D+01 -0.261626D+01 -0.122515D+01
                26            27            28            29            30 
      1  -0.922155D+00 -0.931553D+01  0.625512D+01  0.158909D+02  0.503207D+01
      2   0.154743D+01 -0.325843D+01 -0.569943D+01 -0.110389D+02 -0.117479D+01
      3  -0.625276D+00  0.125740D+02 -0.555694D+00 -0.485196D+01 -0.385727D+01
      4  -0.335567D+01  0.252088D+01  0.683012D+01 -0.106489D+02 -0.524033D-01
      5   0.194687D+01 -0.511538D+00  0.175603D+01 -0.217436D+00 -0.126907D+01
      6   0.555983D+01 -0.250029D+01  0.285640D+01 -0.272649D+01 -0.618538D+01
                31            32            33            34            35 
      1  -0.125626D+01  0.223186D+01  0.222033D+01  0.668101D-01  0.329901D+01
      2   0.978144D+01 -0.651120D+01 -0.195436D+01  0.239333D+01 -0.511797D+01
      3  -0.852517D+01  0.427934D+01 -0.265969D+00 -0.246014D+01  0.181896D+01
      4   0.411277D+01  0.137769D+02  0.184232D+01  0.582086D+00 -0.196281D+01
      5   0.138801D+01  0.165687D+01  0.472501D+00  0.344924D+01  0.376070D+01
      6   0.507221D+01 -0.304150D+01  0.597165D+01 -0.245111D+01  0.135179D+02
                36            37            38            39            40 
      1  -0.148235D+02  0.286069D+01 -0.211481D+02 -0.228052D+01  0.244732D+02
      2   0.241485D+01 -0.246149D+01  0.135173D+02  0.945468D+00 -0.234196D+02
      3   0.124086D+02 -0.399197D+00  0.763079D+01  0.133505D+01 -0.105362D+01
      4   0.338551D+01 -0.125044D+02 -0.535121D+01 -0.478746D+01  0.743841D+01
      5  -0.121495D+01 -0.408255D+01 -0.460584D+01 -0.197129D+01 -0.950831D+00
      6   0.541934D+00 -0.518902D+01 -0.205809D+01  0.445362D+01 -0.496282D+01
                41            42            43            44            45 
      1   0.104648D+02  0.192574D+01  0.220504D+01 -0.295747D+01 -0.487569D+01
      2  -0.144223D+02 -0.569586D+01 -0.608938D+01 -0.469655D+01 -0.524610D+01
      3   0.395749D+01  0.377012D+01  0.388434D+01  0.765402D+01  0.101218D+02
      4  -0.445081D+01 -0.576443D+01 -0.518698D+01 -0.931538D+01  0.148986D+02
      5  -0.573571D+01  0.124326D+02  0.141050D+02  0.152123D+02  0.729194D+01
      6  -0.876288D+01  0.531419D+01  0.603283D+01  0.141666D+02  0.339894D+01
                46            47            48            49            50 
      1  -0.959473D+01 -0.810229D+00 -0.701925D+01  0.413363D+01 -0.208445D+02
      2   0.537784D+01  0.692867D+00  0.382131D+01 -0.250144D+01  0.187054D+02
      3   0.421689D+01  0.117362D+00  0.319795D+01 -0.163219D+01  0.213913D+01
      4  -0.123060D+01  0.231333D+02  0.410639D+00 -0.212548D+02 -0.641253D+01
      5  -0.853715D+01  0.268536D+00  0.185464D+02 -0.102646D+02 -0.263745D+01
      6   0.700507D+00  0.746202D+00  0.130564D+01 -0.264868D+01  0.377094D+01
                51            52            53            54            55 
      1  -0.602570D+01 -0.856245D+01 -0.655244D+01  0.138359D+02  0.160706D+02
      2   0.887531D+01  0.293563D+01  0.512635D+01 -0.178966D+02 -0.623741D+01
      3  -0.284961D+01  0.562682D+01  0.142610D+01  0.406069D+01 -0.983316D+01
      4  -0.339210D+01 -0.113184D+02  0.733170D+00 -0.536133D+00 -0.692075D+01
      5  -0.117714D+01  0.357782D+02  0.112700D+00  0.582448D+01 -0.115195D+01
      6  -0.513204D+01  0.193942D+00  0.597661D+01 -0.386783D+01  0.482850D+00
                56            57            58            59            60 
      1  -0.255699D+00 -0.206037D+00  0.163547D+01 -0.609239D+01 -0.327370D-01
      2   0.373286D+01  0.177087D+00  0.511107D+01  0.270438D+01 -0.502737D+00
      3  -0.347716D+01  0.289499D-01 -0.674655D+01  0.338801D+01  0.535474D+00
      4  -0.180590D+02  0.556395D+01 -0.273516D+02 -0.256177D+01  0.235556D+01
      5   0.617064D+01 -0.118088D+02  0.866751D+01  0.122880D+01 -0.159037D+02
      6   0.855372D+00 -0.668492D+00  0.388779D+01  0.722858D+01 -0.113556D+02
                61            62            63            64            65 
      1   0.109590D+02  0.682871D+01 -0.555271D+00 -0.374808D+02  0.629257D+01
      2   0.304884D+01  0.962386D+00  0.873437D+01  0.233302D+02 -0.752568D+01
      3  -0.140078D+02 -0.779110D+01 -0.817910D+01  0.141506D+02  0.123311D+01
      4   0.114193D+02  0.119343D+02 -0.216948D+02  0.863994D+01  0.130930D+02
      5  -0.181082D+02 -0.199521D+02 -0.207485D+02 -0.116761D+02 -0.590724D+01
      6  -0.109427D+02 -0.313754D+01 -0.586769D+01  0.227267D+01  0.433654D+01
                66            67            68            69            70 
      1  -0.105996D+02  0.438284D+00 -0.262381D+01 -0.140594D+01 -0.100247D+02
      2   0.711649D+01 -0.426813D+01  0.156671D+02 -0.339388D+00  0.784670D+01
      3   0.348314D+01  0.382984D+01 -0.130432D+02  0.174532D+01  0.217803D+01
      4  -0.473574D+01  0.184231D+02 -0.160173D+02  0.738892D+01 -0.729035D+01
      5   0.559245D+01 -0.117096D+02  0.681557D+01  0.961547D+01  0.328947D+01
      6  -0.248556D+01  0.302196D+01 -0.848942D+01  0.221009D+01  0.226923D+01
                71            72            73            74            75 
      1   0.367748D+00 -0.101567D+01 -0.539918D+02 -0.165956D+02 -0.185347D+01
      2  -0.737897D+00 -0.742271D+01  0.222691D+02  0.152650D+02  0.379158D+01
      3   0.370149D+00  0.843838D+01  0.317227D+02  0.133062D+01 -0.193811D+01
      4   0.756150D+01  0.796281D+01 -0.190861D+02  0.154912D+02 -0.650455D+01
      5   0.748748D+01  0.222468D+02 -0.233363D+01 -0.389497D+01  0.105996D+02
      6  -0.943853D+00 -0.160327D+02 -0.449657D+01 -0.531635D+01  0.383923D+01
                76            77            78            79            80 
      1  -0.775655D+01  0.194209D+02  0.275840D+01 -0.110581D+02 -0.163289D-01
      2   0.705664D+01 -0.220606D+02  0.620288D+01  0.472296D+01  0.258489D+01
      3   0.699912D+00  0.263966D+01 -0.896128D+01  0.633516D+01 -0.256856D+01
      4   0.186644D+02 -0.695952D+01 -0.352689D+01 -0.150028D+02 -0.101717D+02
      5  -0.869327D+01 -0.632786D+01  0.145185D+02  0.134316D+02  0.163591D+02
      6  -0.553900D+01 -0.438185D+01  0.837758D+01  0.765237D+01  0.828949D+01
                81            82            83            84            85 
      1   0.116733D+02  0.115223D+01 -0.306655D+01 -0.184311D+01 -0.574534D+01
      2   0.871197D+01 -0.240632D+00  0.760875D+00  0.455696D-01  0.183408D+01
      3  -0.203853D+02 -0.911596D+00  0.230567D+01  0.179754D+01  0.391126D+01
      4   0.196750D+02 -0.329767D+01  0.755157D+00  0.265547D+01  0.680279D+01
      5   0.168125D+02 -0.216408D+01  0.201196D+01 -0.419820D+00  0.477494D+01
      6   0.637099D+00  0.152043D+01 -0.116410D+01  0.873894D+00 -0.262774D+01
                86            87            88            89            90 
      1  -0.318429D+01  0.741949D+00 -0.804664D+01 -0.126256D+01 -0.558904D+01
      2   0.457567D+01  0.161124D+01  0.361239D+01  0.302325D+01  0.211948D+01
      3  -0.139138D+01 -0.235319D+01  0.443425D+01 -0.176069D+01  0.346956D+01
      4  -0.108240D+02 -0.579964D+01  0.908750D+01 -0.125898D+02 -0.122977D+02
      5  -0.483504D+01 -0.138769D+02  0.717567D+01 -0.125293D+02 -0.233425D+02
      6   0.417579D+01  0.113415D+02 -0.375718D+01  0.107068D+02  0.156483D+02
                91            92            93            94            95 
      1   0.521115D+01  0.126788D+01  0.402108D+01  0.980697D+00 -0.258715D+01
      2  -0.644193D+01 -0.121285D+01 -0.418418D+01 -0.246548D+01 -0.149487D+00
      3   0.123078D+01 -0.550291D-01  0.163099D+00  0.148478D+01  0.273663D+01
      4   0.427060D+01  0.715455D+01  0.227743D+01  0.992974D+01  0.608933D+01
      5   0.906365D+01  0.237252D+01  0.124338D+02  0.356719D+01  0.595907D+01
      6   0.293456D+01  0.410173D-01  0.173257D+01  0.194214D+01  0.443765D+01
                96            97            98            99           100 
      1  -0.271834D+01  0.314596D+01 -0.327554D+01 -0.104957D+02  0.366032D+01
      2  -0.681672D+00 -0.871627D+01 -0.226972D+01 -0.143509D+02 -0.369247D+01
      3   0.340001D+01  0.557031D+01  0.554526D+01  0.248466D+02  0.321500D-01
      4   0.630265D+01  0.329993D+01  0.719079D+01  0.914641D+01  0.131067D+01
      5   0.944662D+01  0.183191D+02  0.869581D+01  0.308111D+02 -0.228084D+01
      6   0.968165D+01  0.475846D+01  0.693599D+01  0.111690D+02  0.852209D-01
               101           102           103           104           105 
      1   0.180049D+01 -0.600919D+01 -0.219178D+01 -0.401065D+01 -0.229012D+01
      2  -0.183950D+01  0.495853D+00  0.204950D+01  0.970681D+00 -0.566006D+01
      3   0.390143D-01  0.551333D+01  0.142283D+00  0.303997D+01  0.795018D+01
      4  -0.177505D+01 -0.448045D+00 -0.308086D+00 -0.268916D+01 -0.436361D+01
      5   0.770164D+00  0.208843D+00  0.418437D+01 -0.319568D+01 -0.981709D+01
      6   0.175401D+01 -0.132295D+01  0.370196D-01  0.207962D+01  0.285187D+01
               106           107           108           109           110 
      1  -0.644503D+01 -0.142748D+00 -0.166332D+02 -0.247978D+01  0.928286D+01
      2   0.444969D+01 -0.412208D+01 -0.168983D+02  0.475073D+01 -0.106596D+02
      3   0.199534D+01  0.426482D+01  0.335315D+02 -0.227095D+01  0.137669D+01
      4  -0.288798D+01 -0.730437D+01 -0.444713D+01  0.421609D+00 -0.414843D+01
      5   0.800774D+01 -0.218217D+01 -0.299339D+02  0.205662D+01  0.956514D-01
      6   0.812027D+00  0.427883D+01 -0.938842D+01  0.226133D+00  0.261230D+01
               111           112           113           114           115 
      1  -0.673199D+00  0.102668D+02 -0.266691D+02  0.258746D+01  0.151647D+01
      2  -0.217441D+00 -0.767124D+01  0.402573D+02 -0.125163D+01 -0.831593D+00
      3   0.890641D+00 -0.259559D+01 -0.135882D+02 -0.133583D+01 -0.684879D+00
      4   0.165667D+01  0.452637D+01  0.310081D+02 -0.316580D+01  0.232969D+01
      5  -0.232186D+01 -0.321963D+01 -0.986574D+00  0.461995D+01  0.216103D+00
      6  -0.274988D+01  0.632837D+00 -0.874993D+01  0.704908D+01 -0.157349D+01
               116           117           118           119           120 
      1   0.101235D+01 -0.530297D+01  0.781753D+02  0.108584D+02  0.234991D+01
      2   0.452436D+00  0.268536D+01 -0.366837D+02 -0.201464D+01  0.514907D+00
      3  -0.146479D+01  0.261761D+01 -0.414916D+02 -0.884377D+01 -0.286482D+01
      4   0.149397D+01  0.123776D+01  0.335071D+02  0.173033D+02 -0.224107D+00
      5   0.185190D+01 -0.123324D+01 -0.934450D+01 -0.204334D+01  0.112806D+02
      6   0.644040D+01 -0.110625D+01 -0.594612D+00 -0.171563D+01  0.399523D+01
               121           122           123           124           125 
      1   0.222059D+01  0.460192D+01  0.246454D+00  0.102316D+02  0.766842D+00
      2   0.160832D+01  0.100524D+01 -0.535256D+00 -0.438172D+01  0.357664D+00
      3  -0.382891D+01 -0.560715D+01  0.288802D+00 -0.584988D+01 -0.112451D+01
      4   0.124328D+02  0.769872D+01  0.392913D+00  0.448675D+01  0.384670D+01
      5   0.301228D+00 -0.239202D+00 -0.416810D+00  0.952454D+01  0.736782D+00
      6  -0.989625D+00 -0.530080D+00  0.940770D+00  0.316347D+01  0.102922D+01
               126           127           128           129           130 
      1   0.530302D+01 -0.337238D+01  0.647905D+01  0.116499D+01  0.731454D+01
      2  -0.502861D+01  0.549983D+01 -0.933728D+01 -0.883320D+00 -0.102113D+02
      3  -0.274409D+00 -0.212745D+01  0.285823D+01 -0.281672D+00  0.289676D+01
      4   0.155122D+01 -0.791007D+01  0.581715D+01  0.728573D+00  0.696549D+01
      5   0.196458D+00 -0.476459D-01  0.107885D+01  0.402060D+00  0.914760D+00
      6   0.521434D+00 -0.733102D+00 -0.498973D+00 -0.151433D+01 -0.823425D+00
               131           132           133           134           135 
      1  -0.241342D+02 -0.222634D+01  0.374730D+00 -0.141140D+01 -0.677750D+00
      2   0.325985D+02  0.173431D+01 -0.832484D+00  0.204734D+01  0.134596D+01
      3  -0.846431D+01  0.492031D+00  0.457754D+00 -0.635940D+00 -0.668214D+00
      4  -0.582276D+01 -0.386150D+00  0.373680D-01 -0.118422D+00 -0.133554D+01
      5  -0.901338D+00 -0.101802D+01  0.790732D+00 -0.712882D+00 -0.213783D+00
      6   0.258293D+01  0.567026D+01 -0.656375D+00  0.182447D+01  0.242183D+00
               136           137           138           139           140 
      1   0.873592D+01  0.640314D+01  0.111074D+01  0.165836D+01 -0.103014D+02
      2   0.181800D+01  0.444562D+01  0.839620D-01  0.102204D+02  0.312084D+02
      3  -0.105539D+02 -0.108488D+02 -0.119471D+01 -0.118788D+02 -0.209070D+02
      4   0.225782D+02  0.256969D+02  0.516947D+01  0.279051D+02  0.472154D+02
      5   0.479282D+01  0.492068D+01  0.551394D+01  0.521890D+01  0.789963D+01
      6   0.353647D+01  0.400976D+01  0.334044D+01  0.498920D+01  0.102928D+02
               141           142           143           144           145 
      1  -0.213941D+01  0.110879D+01 -0.124562D+01 -0.963569D+00  0.999696D+02
      2   0.366364D+01  0.141634D+01  0.495937D+01  0.188447D+01 -0.575055D+02
      3  -0.152422D+01 -0.252513D+01 -0.371375D+01 -0.920898D+00 -0.424640D+02
      4   0.849171D+01  0.690289D+01  0.101653D+02  0.334283D+01  0.407004D+01
      5   0.644190D+01  0.243961D+01  0.267739D+01  0.217006D+01  0.119482D+02
      6   0.844167D+01  0.212584D+01  0.392264D+01  0.276970D+01 -0.193166D+01
               146           147           148           149           150 
      1   0.279290D+01  0.788444D+01  0.168990D+01  0.909102D+01  0.131671D+01
      2  -0.134992D+01 -0.554823D+01 -0.775063D+00 -0.443969D+01 -0.120631D+01
      3  -0.144298D+01 -0.233621D+01 -0.914835D+00 -0.465133D+01 -0.110404D+00
      4   0.931562D+01  0.521178D-01  0.147029D+02  0.118111D+01  0.131591D+01
      5   0.774323D-01  0.117461D+02  0.265928D+01  0.136226D+01  0.687509D+00
      6   0.593120D+00  0.101939D-01  0.994699D+00 -0.150723D+00  0.164225D+01
               151           152           153           154           155 
      1   0.105591D+02  0.154930D+01  0.326764D+01  0.158036D+02 -0.100373D+02
      2  -0.626558D+01 -0.101038D+01 -0.207360D+01 -0.815553D+00 -0.350563D+01
      3  -0.429352D+01 -0.538921D+00 -0.119404D+01 -0.149881D+02  0.135429D+02
      4   0.278731D+01  0.120639D+01  0.561338D+00 -0.287220D+02  0.293379D+02
      5   0.307368D+01  0.362743D+00  0.208259D+01 -0.364487D+01  0.262523D+01
      6   0.628710D-01  0.724445D+00  0.362244D+00  0.119939D+01 -0.100080D+01
               156           157           158           159           160 
      1  -0.138673D+01 -0.614053D+01 -0.191775D+01 -0.600946D-01  0.382735D+00
      2   0.400375D+00 -0.841318D+01  0.232420D+02  0.107949D+01 -0.147613D+01
      3   0.986352D+00  0.145537D+02 -0.213242D+02 -0.101940D+01  0.109340D+01
      4   0.239204D+01  0.324346D+02 -0.467700D+02 -0.536675D+01  0.312079D+01
      5   0.537531D+01  0.465901D+01 -0.606348D+01 -0.596874D+01  0.198383D+01
      6  -0.303739D+01 -0.296994D+01  0.459132D+01  0.655712D+01 -0.137722D+01
               161           162           163           164           165 
      1  -0.123617D+01 -0.481762D+00 -0.480213D+01 -0.746062D+01 -0.292638D+01
      2   0.311577D+01  0.127216D+01  0.586123D+01  0.872614D+01  0.180816D+01
      3  -0.187960D+01 -0.790399D+00 -0.105911D+01 -0.126553D+01  0.111822D+01
      4  -0.514306D+01 -0.254149D+01  0.524467D+01  0.657316D+01  0.119902D+01
      5  -0.165835D+01 -0.849065D+00  0.381148D+00  0.863735D+00  0.153824D+01
      6   0.240770D+01  0.138767D+01  0.242441D+01  0.402663D+01  0.279073D+01
               166           167           168           169           170 
      1  -0.786346D+01 -0.280476D+02 -0.730086D+01 -0.226376D+01 -0.627840D+01
      2   0.965505D+01  0.355964D+02  0.617799D+01  0.240004D+01  0.716296D+01
      3  -0.179159D+01 -0.754883D+01  0.112287D+01 -0.136280D+00 -0.884565D+00
      4   0.611847D+01  0.180643D+01 -0.324401D-01  0.168258D+01  0.903056D+00
      5   0.589735D+00 -0.661436D+00  0.274356D+00  0.121913D+01  0.553356D+00
      6   0.309330D+01  0.112666D+02  0.835081D+01  0.126032D+01  0.445084D+01
               171           172           173           174           175 
      1  -0.292098D+01  0.679542D+02 -0.916440D+01  0.106983D+02 -0.209526D+01
      2   0.270376D+01 -0.369668D+02  0.329674D+01 -0.656508D+01 -0.600334D+00
      3   0.217215D+00 -0.309874D+02  0.586766D+01 -0.413318D+01  0.269559D+01
      4   0.181161D+01 -0.256467D+02  0.116520D+02 -0.295481D+01  0.701338D+01
      5   0.102646D+01  0.164125D+02 -0.149154D+01  0.111560D+02  0.317773D+01
      6   0.316448D+01 -0.412194D+01  0.706967D+00 -0.317150D+01  0.201425D-01
               176           177           178           179           180 
      1   0.183284D+01  0.333970D+01  0.182960D+02  0.128950D+01  0.434885D+01
      2   0.543042D+00 -0.273154D+01 -0.122879D+02 -0.904855D+00 -0.387077D+01
      3  -0.237589D+01 -0.608159D+00 -0.600809D+01 -0.384643D+00 -0.478086D+00
      4  -0.196802D+01  0.707022D+00 -0.369265D+01  0.183771D+01 -0.250469D+01
      5   0.155725D+01  0.926923D+00  0.103149D+02 -0.170006D+01  0.505874D+01
      6  -0.470365D+00  0.123066D+01 -0.148383D+01  0.173840D+01 -0.921960D+00
 Leave Link  716 at Mon Aug 16 21:51:48 2021, MaxMem=  5637144576 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.137050D+03  0.878971D+00  0.223294D+01
      2   0.878971D+00  0.113028D+03  0.397096D+01
      3   0.223294D+01  0.397096D+01  0.756087D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.577469D+00 -0.235326D+00  0.234813D+01
      2   0.124338D+02  0.120449D+02 -0.928625D+01
      3   0.910952D+00 -0.291298D+02 -0.123722D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.639416D+02  0.234178D+01  0.871670D+01
      2  -0.263693D+02 -0.612053D+01 -0.130038D+02
      3  -0.375723D+02  0.377875D+01  0.428709D+01
      4  -0.137917D+02  0.483436D+02  0.278960D+02
      5   0.209267D+02  0.296122D+02 -0.237680D+02
      6   0.933081D+01  0.581753D+01 -0.674383D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.273151D+01 -0.328611D+00 -0.514619D+00 -0.578404D+01 -0.384633D+00
      2  -0.328611D+00  0.269783D+01  0.796956D+00 -0.384633D+00 -0.769811D+00
      3  -0.514619D+00  0.796956D+00  0.153080D+01 -0.857181D+00  0.979749D+00
                 6             7             8             9            10 
      1  -0.857181D+00 -0.200084D+01 -0.225196D+00  0.288797D+01  0.365842D+01
      2   0.979749D+00 -0.225196D+00  0.145864D+01 -0.338371D+01  0.192060D+01
      3  -0.216646D+01  0.288797D+01 -0.338371D+01 -0.118474D+01  0.642395D+00
                11            12            13            14            15 
      1   0.192060D+01  0.642395D+00 -0.686441D+01 -0.733277D+00  0.174147D+00
      2  -0.314302D+01  0.159164D+00 -0.733277D+00 -0.161164D+01  0.872831D+00
      3   0.159164D+00 -0.130885D+01  0.174147D+00  0.872831D+00 -0.133270D+01
                16            17            18            19            20 
      1   0.483752D-01  0.880549D+00 -0.820652D+00 -0.178531D+02 -0.254075D+01
      2   0.880549D+00  0.476573D+00 -0.321045D+01 -0.254075D+01 -0.251610D+01
      3  -0.820652D+00 -0.321045D+01 -0.216726D+01 -0.808253D+00 -0.263730D+00
                21            22            23            24            25 
      1  -0.808253D+00 -0.337892D+01  0.149849D+01  0.972064D+00 -0.798373D+00
      2  -0.263730D+00  0.149849D+01  0.125313D-01  0.216037D-01  0.873189D+00
      3  -0.191922D+01  0.972064D+00  0.216037D-01 -0.449415D+00 -0.367277D+01
                26            27            28            29            30 
      1   0.873189D+00 -0.367277D+01  0.436957D+01 -0.835762D+00  0.357408D+00
      2   0.108806D+00 -0.511290D+00 -0.835762D+00 -0.339019D+01 -0.836569D+00
      3  -0.511290D+00 -0.139243D+01  0.357408D+00 -0.836569D+00 -0.197097D+01
                31            32            33            34            35 
      1   0.818709D+01 -0.418505D-01  0.126248D+00  0.271812D+01 -0.180637D+00
      2  -0.418505D-01  0.181845D+01 -0.435545D+00 -0.180637D+00 -0.963531D+00
      3   0.126248D+00 -0.435545D+00  0.172247D+01 -0.165352D+01  0.333090D+01
                36            37            38            39            40 
      1  -0.165352D+01 -0.349404D+01 -0.151958D+00 -0.541045D+00  0.523423D+01
      2   0.333090D+01 -0.151958D+00  0.284525D+01 -0.183752D+00  0.462190D-01
      3   0.920024D+00 -0.541045D+00 -0.183752D+00  0.946084D+00 -0.179257D+00
                41            42            43            44            45 
      1   0.462190D-01 -0.179257D+00  0.166423D+00 -0.911386D+00  0.225217D+01
      2   0.108739D+01 -0.855900D+00 -0.911386D+00 -0.806854D+00  0.379539D+01
      3  -0.855900D+00  0.207545D+01  0.225217D+01  0.379539D+01  0.234477D+01
                46            47            48            49            50 
      1   0.603667D+01  0.303963D+00 -0.590458D+00  0.935109D+00 -0.777674D+00
      2   0.303963D+00  0.307434D+01  0.515979D-01 -0.777674D+00 -0.106936D+00
      3  -0.590458D+00  0.515979D-01  0.279979D+01 -0.116000D+01 -0.305772D+00
                51            52            53            54            55 
      1  -0.116000D+01 -0.295142D+00 -0.109145D+01  0.532913D+01  0.399078D+01
      2  -0.305772D+00 -0.109145D+01  0.286991D+00  0.844589D-01  0.192551D+01
      3  -0.732588D-01  0.532913D+01  0.844589D-01  0.127728D+01  0.210187D+00
                56            57            58            59            60 
      1   0.192551D+01  0.210187D+00  0.663013D+01  0.415570D+01 -0.987422D+00
      2   0.291023D+01 -0.147033D+01  0.415570D+01  0.903766D+00 -0.141958D+00
      3  -0.147033D+01  0.189432D+01 -0.987422D+00 -0.141958D+00  0.387774D+01
                61            62            63            64            65 
      1   0.446014D+00 -0.159116D+01  0.341707D+01  0.749579D+01  0.473630D+00
      2  -0.159116D+01 -0.199071D+01  0.405459D+01  0.473630D+00 -0.130173D+01
      3   0.341707D+01  0.405459D+01  0.521802D+01  0.105986D+01  0.120897D+01
                66            67            68            69            70 
      1   0.105986D+01 -0.721429D-01 -0.200339D+01  0.162527D+01  0.129365D+01
      2   0.120897D+01 -0.200339D+01  0.231091D+01 -0.126772D+01  0.145716D+01
      3  -0.138551D+00  0.162527D+01 -0.126772D+01 -0.225170D+01  0.505934D-01
                71            72            73            74            75 
      1   0.145716D+01  0.505934D-01  0.864976D+01  0.959407D+00  0.156747D+01
      2  -0.102976D+01 -0.150318D+01  0.959407D+00 -0.372606D+01  0.121329D+01
      3  -0.150318D+01 -0.474362D+01  0.156747D+01  0.121329D+01 -0.171574D+01
                76            77            78            79            80 
      1  -0.258618D+01 -0.383109D+01  0.159809D+01  0.451892D+01  0.213961D+01
      2  -0.383109D+01  0.323125D+01  0.510551D+00  0.213961D+01  0.201749D+01
      3   0.159809D+01  0.510551D+00 -0.304679D+01 -0.186069D+01 -0.313152D+01
                81            82            83            84            85 
      1  -0.186069D+01  0.160825D+00  0.386873D+00  0.370420D+00  0.137247D+01
      2  -0.313152D+01  0.386873D+00  0.830550D-01 -0.268588D+00 -0.769935D+00
      3  -0.449716D+01  0.370420D+00 -0.268588D+00  0.427054D+00 -0.793437D+00
                86            87            88            89            90 
      1  -0.769935D+00 -0.793437D+00  0.220815D+01 -0.113276D+01 -0.108053D+01
      2   0.221497D+01  0.930435D+00 -0.113276D+01  0.241357D+01  0.250900D+01
      3   0.930435D+00  0.271197D+01 -0.108053D+01  0.250900D+01  0.479839D+01
                91            92            93            94            95 
      1  -0.185842D+01 -0.688470D+00 -0.156423D+01 -0.266073D+01 -0.160075D+01
      2  -0.688470D+00 -0.748568D+00 -0.207441D+00 -0.160075D+01 -0.132527D+01
      3  -0.156423D+01 -0.207441D+00 -0.140085D+01 -0.547813D+00 -0.141576D+01
                96            97            98            99           100 
      1  -0.547813D+00 -0.428599D+01 -0.509059D+00 -0.279009D+01 -0.365798D+00
      2  -0.141576D+01 -0.509059D+00 -0.155337D+01 -0.194433D+01  0.237518D-01
      3  -0.222142D+01 -0.279009D+01 -0.194433D+01 -0.725275D+01  0.594868D+00
               101           102           103           104           105 
      1   0.237518D-01  0.594868D+00  0.102547D+01  0.196412D+00 -0.512830D+00
      2   0.597390D+00 -0.145267D+00  0.196412D+00  0.346513D+00  0.899527D+00
      3  -0.145267D+00  0.105100D+01 -0.512830D+00  0.899527D+00  0.220383D+01
               106           107           108           109           110 
      1   0.131163D+01  0.127922D+00 -0.563517D+00  0.913742D+00 -0.776961D+00
      2   0.127922D+00  0.143725D+01  0.440291D+00 -0.776961D+00  0.206408D+01
      3  -0.563517D+00  0.440291D+00  0.717079D+01 -0.356934D+00 -0.482489D+00
               111           112           113           114           115 
      1  -0.356934D+00 -0.199940D+01  0.668461D+00  0.116647D+00 -0.664262D+00
      2  -0.482489D+00  0.668461D+00 -0.819063D+01  0.761464D+00 -0.300226D+00
      3   0.690437D+00  0.116647D+00  0.761464D+00 -0.123794D+01  0.254039D+00
               116           117           118           119           120 
      1  -0.300226D+00  0.254039D+00 -0.126265D+02 -0.242503D+01  0.723151D-01
      2  -0.178137D+00 -0.662693D+00 -0.242503D+01 -0.154682D+01  0.162357D+00
      3  -0.662693D+00  0.429003D+00  0.723151D-01  0.162357D+00 -0.128721D+01
               121           122           123           124           125 
      1  -0.628178D+00 -0.108938D+01 -0.205566D+00 -0.223024D+01 -0.461486D+00
      2  -0.108938D+01 -0.103640D+01 -0.467443D-01 -0.461486D+00 -0.653861D+00
      3  -0.205566D+00 -0.467443D-01  0.183164D+00 -0.101787D+01 -0.137842D-01
               126           127           128           129           130 
      1  -0.101787D+01 -0.321943D+01  0.201250D+01 -0.120868D+00  0.245251D+01
      2  -0.137842D-01  0.201250D+01 -0.218778D+01 -0.209979D+00 -0.252040D+01
      3   0.748563D-01 -0.120868D+00 -0.209979D+00 -0.176354D+00 -0.216570D+00
               131           132           133           134           135 
      1  -0.252040D+01 -0.216570D+00 -0.330405D+00 -0.772369D-01  0.164575D-01
      2   0.666796D+01  0.471180D+00 -0.772369D-01  0.429742D+00  0.122159D+00
      3   0.471180D+00  0.872581D+00  0.164575D-01  0.122159D+00 -0.438755D-01
               136           137           138           139           140 
      1   0.290909D+01  0.294937D+01  0.717607D+00  0.283756D+01  0.406772D+01
      2   0.294937D+01  0.314309D+01  0.720434D+00  0.406772D+01  0.855923D+01
      3   0.717607D+00  0.720434D+00  0.620324D+00  0.817416D+00  0.159849D+01
               141           142           143           144           145 
      1   0.817416D+00  0.781573D+00  0.975467D+00  0.289836D+00  0.132352D+02
      2   0.159849D+01  0.975467D+00  0.177701D+01  0.367108D+00  0.379363D+00
      3   0.122744D+01  0.289836D+00  0.367108D+00  0.280260D+00  0.127064D+01
               146           147           148           149           150 
      1   0.379363D+00  0.127064D+01  0.296704D+00  0.156688D+01  0.323172D+00
      2   0.866869D+00  0.127874D-01  0.156688D+01  0.138843D+00  0.159109D+00
      3   0.127874D-01  0.112575D+01  0.323172D+00  0.159109D+00  0.990741D-01
               151           152           153           154           155 
      1   0.148566D+01  0.342791D+00  0.937208D-01  0.401487D+01 -0.348989D+01
      2   0.342791D+00  0.103601D+00  0.284169D-01 -0.348989D+01  0.351286D+01
      3   0.937208D-01  0.284169D-01  0.139313D+00 -0.328050D+00  0.269564D+00
               156           157           158           159           160 
      1  -0.328050D+00 -0.347135D+01  0.442639D+01  0.626952D+00 -0.295595D+00
      2   0.269564D+00  0.442639D+01 -0.748738D+01 -0.873568D+00  0.439898D+00
      3   0.568149D+00  0.626952D+00 -0.873568D+00 -0.954722D+00  0.747023D-01
               161           162           163           164           165 
      1   0.439898D+00  0.747023D-01 -0.212459D+01 -0.185947D+01 -0.386117D+00
      2  -0.101475D+01 -0.224097D+00 -0.185947D+01 -0.202064D+01 -0.615074D+00
      3  -0.224097D+00 -0.163412D+00 -0.386117D+00 -0.615074D+00 -0.428540D+00
               166           167           168           169           170 
      1  -0.198954D+01 -0.231569D+01 -0.489630D+00 -0.576779D+00 -0.740154D+00
      2  -0.231569D+01 -0.719618D+01 -0.163182D+01 -0.740154D+00 -0.169785D+01
      3  -0.489630D+00 -0.163182D+01 -0.124650D+01 -0.153780D+00 -0.519564D+00
               171           172           173           174           175 
      1  -0.153780D+00 -0.111613D+02  0.176193D+01 -0.165261D+01  0.463614D+00
      2  -0.519564D+00  0.176193D+01 -0.121409D+01  0.881008D-01 -0.558190D+00
      3  -0.421808D+00 -0.165261D+01  0.881008D-01 -0.130742D+01 -0.430300D+00
               176           177           178           179           180 
      1  -0.558190D+00 -0.430300D+00 -0.350088D+01 -0.158414D-01 -0.105228D+01
      2   0.432454D+00 -0.230160D+00 -0.158414D-01 -0.620844D+00  0.372309D+00
      3  -0.230160D+00  0.719027D-02 -0.105228D+01  0.372309D+00 -0.785650D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.112864D+01 -0.323095D+00  0.279684D+01 -0.129773D+01  0.321433D+00
      2  -0.750685D+00  0.243823D+01  0.198694D+01 -0.887135D+00  0.318665D+01
      3  -0.150035D+01 -0.134549D+02 -0.235639D+01  0.433724D+01 -0.969801D+00
                 6             7             8             9            10 
      1  -0.242954D+01  0.669163D+01  0.279429D+01  0.101814D+01  0.105151D+00
      2  -0.569595D+01 -0.549393D+01 -0.100547D+02 -0.359203D+01  0.312160D+01
      3  -0.219064D+01 -0.116825D+00 -0.445823D+01  0.399006D+01  0.711727D-01
                11            12            13            14            15 
      1   0.991587D+00 -0.239849D+01  0.115181D+01 -0.813673D+00 -0.253223D+01
      2   0.141450D+01 -0.108506D+01  0.129152D+01 -0.143908D+01 -0.143645D+01
      3  -0.115445D+01 -0.153507D+01  0.868850D+00  0.769705D+01  0.131106D+00
                16            17            18            19            20 
      1  -0.555754D+01  0.216640D+01 -0.754839D+00  0.740589D+00 -0.649955D+00
      2  -0.135268D+02 -0.118531D+01 -0.253934D+01  0.199088D-01 -0.141534D+01
      3  -0.485031D+01 -0.206652D+00  0.580503D+01 -0.699161D+01  0.767631D+01
                21            22            23            24            25 
      1  -0.771673D+00 -0.281225D+01 -0.145559D+01  0.133862D+01  0.121390D+01
      2  -0.187587D+01 -0.162237D+01  0.536900D+00  0.696781D+00 -0.134144D+02
      3   0.465374D+00  0.157390D+02  0.261501D+00  0.452690D+00  0.519581D-01
                26            27            28            29            30 
      1   0.103287D+02  0.207671D+01 -0.935490D+00 -0.236922D+00  0.306641D+01
      2   0.672887D+00 -0.641731D+00  0.222267D+01 -0.155616D+00 -0.938941D+00
      3   0.283031D+01 -0.853660D+00  0.659916D+01 -0.626139D+00  0.161092D+01
                31            32            33            34            35 
      1  -0.912186D+00 -0.126187D+00 -0.234874D+01  0.493681D+01  0.222763D+01
      2   0.364098D+01  0.121503D+01  0.759057D+00 -0.131835D+02  0.385499D+00
      3   0.619787D+01 -0.603618D+01  0.971994D-01  0.214933D+01 -0.113281D+00
                36            37            38            39            40 
      1  -0.380009D-01  0.889340D+00  0.602540D+00 -0.175077D+01  0.103050D+01
      2  -0.334753D+00 -0.174656D-01  0.112083D+01 -0.513853D-01  0.813002D+00
      3  -0.517103D+01 -0.326337D+01 -0.100219D+02 -0.205891D+01  0.552667D+01
                41            42            43            44            45 
      1   0.103323D-01 -0.295263D+01 -0.549067D+01  0.187966D+01 -0.114843D+01
      2  -0.282456D+01  0.592743D+01 -0.755767D+01  0.960290D+01  0.349211D+01
      3  -0.221734D+01  0.172949D+01 -0.520414D+00  0.117788D+01 -0.509393D+01
                46            47            48            49            50 
      1   0.170389D+00 -0.842891D+00 -0.580871D+00 -0.132117D+01 -0.265183D+01
      2  -0.246915D+00 -0.225149D+00  0.830819D+01 -0.346337D+01 -0.306240D+00
      3   0.536548D+00 -0.740002D+01  0.341726D+00  0.114003D+02  0.336161D+01
                51            52            53            54            55 
      1   0.251760D+01 -0.947826D+00  0.110823D+02  0.247013D+01 -0.194002D+01
      2  -0.591265D+00  0.851060D+01  0.447002D+00  0.269264D+01  0.145357D+01
      3   0.184898D+01  0.316768D+01  0.123157D+01  0.994241D+00  0.693403D+01
                56            57            58            59            60 
      1   0.276866D-01 -0.773344D-01 -0.216987D+01 -0.112811D+01  0.167648D+01
      2   0.262561D+01 -0.189362D+01  0.358428D+01  0.183302D+01 -0.549718D+01
      3   0.286478D+01 -0.180586D+01  0.119691D+02 -0.454241D+01  0.130701D+01
                61            62            63            64            65 
      1   0.410507D+01  0.677143D+01 -0.771924D+00 -0.267594D+01 -0.185582D+01
      2  -0.121927D+02 -0.801393D+01 -0.793305D+01  0.318668D+00 -0.199244D+01
      3  -0.111041D+01 -0.538036D+01  0.830360D+01  0.171347D+02 -0.878677D+01
                66            67            68            69            70 
      1   0.621506D+00 -0.122320D+01 -0.967412D+00 -0.181272D+00 -0.437943D+01
      2   0.440404D+01 -0.223198D+01  0.214938D+01  0.519873D+01 -0.367806D+01
      3   0.525892D+01  0.269500D+01  0.488171D+01 -0.204568D+01  0.515787D+01
                71            72            73            74            75 
      1   0.810383D+01  0.954200D+01  0.436930D+01 -0.202981D+01 -0.215449D+01
      2   0.594414D+01  0.105724D+02 -0.111968D+02 -0.491771D+01  0.631948D+01
      3  -0.985701D+00 -0.465082D+01 -0.899261D+01 -0.162792D+02  0.888633D+00
                76            77            78            79            80 
      1   0.437588D-01  0.904623D+01 -0.743830D+01 -0.117715D+01 -0.279043D+01
      2  -0.626114D+01  0.523977D+00  0.658884D+01  0.121957D+01  0.679168D+01
      3  -0.973976D+01  0.186211D+02 -0.416250D+00  0.161160D+01  0.158654D+01
                81            82            83            84            85 
      1  -0.778044D+01 -0.371423D+00  0.628195D+00 -0.628313D+00  0.158783D+01
      2   0.126033D+02 -0.159796D+01  0.944896D+00 -0.639522D+00  0.192397D+01
      3  -0.655815D+01  0.236851D+01  0.473304D+00 -0.170411D+00  0.118203D+01
                86            87            88            89            90 
      1  -0.217062D+01 -0.620492D+01  0.282284D+01 -0.281362D+01 -0.110201D+02
      2  -0.250724D+01 -0.705982D+01  0.512106D-01 -0.666893D+01 -0.112535D+02
      3   0.448585D+01  0.142753D+01  0.115992D+01  0.627376D+01  0.602611D+01
                91            92            93            94            95 
      1  -0.916849D+00  0.121628D+01 -0.464160D+00  0.128446D+01  0.705056D+00
      2   0.157444D+01  0.428552D+00  0.289412D+01 -0.413616D+00  0.133441D+01
      3  -0.167842D+01 -0.383693D+01 -0.376693D+00 -0.148062D+01 -0.157204D+01
                96            97            98            99           100 
      1  -0.139799D+01 -0.133327D+01  0.207411D+01 -0.127358D+01  0.695217D+00
      2   0.396271D+01  0.656456D+00  0.314688D+01  0.116834D+02 -0.181897D+01
      3  -0.318235D+01  0.161119D+00 -0.328272D+01 -0.428808D+01  0.559152D+00
               101           102           103           104           105 
      1   0.103185D+01  0.112343D+01  0.100978D+00  0.219850D+01  0.205444D+01
      2   0.823996D-01 -0.217240D+01 -0.258872D+00 -0.239454D+01 -0.523712D+01
      3   0.112489D+01 -0.681014D+00  0.123513D+01  0.619548D+00  0.225963D+01
               106           107           108           109           110 
      1  -0.407010D+00  0.489162D+01  0.102491D+02 -0.198130D+01  0.169129D+01
      2  -0.310646D+01 -0.179540D+01 -0.175106D+02 -0.194694D+00  0.154868D+01
      3  -0.129530D+01  0.378210D+01  0.208926D+01 -0.704122D+01  0.722874D+01
               111           112           113           114           115 
      1   0.169950D+01  0.174765D+01 -0.607119D+01 -0.367739D+01  0.804591D+00
      2  -0.111180D+01  0.145998D+01 -0.288012D+01  0.219867D+01 -0.151199D+01
      3  -0.206875D-01  0.971891D+01 -0.225955D+02  0.144351D+01  0.130703D+01
               116           117           118           119           120 
      1  -0.119934D+00  0.522625D+00 -0.498716D+00 -0.851326D+00 -0.216248D+01
      2   0.113112D+01 -0.899986D+00  0.725098D+01  0.739746D+00  0.692955D+01
      3  -0.638446D+00 -0.211626D+01  0.100344D+02 -0.497911D+01  0.673206D+00
               121           122           123           124           125 
      1  -0.386958D+00 -0.769051D+00 -0.420487D+00 -0.122523D+01  0.749918D+00
      2   0.138670D+01  0.542221D+00 -0.271072D+00  0.192069D+01 -0.212127D+00
      3   0.274343D+00 -0.216746D+01 -0.223318D+00  0.543148D+00 -0.131773D+01
               126           127           128           129           130 
      1  -0.208908D-01  0.107455D+01 -0.291006D+00  0.152885D+01  0.234619D-02
      2   0.219845D+00  0.153672D+01 -0.275088D-01 -0.229752D+00 -0.472943D+00
      3   0.131827D+01 -0.105119D+02  0.440353D+01 -0.538061D+00  0.851978D+01
               131           132           133           134           135 
      1  -0.560416D-01 -0.354702D+01 -0.374154D+00  0.185790D+01  0.213607D+00
      2   0.782598D+00 -0.764742D+00 -0.150958D+01  0.402016D+00 -0.107753D+00
      3  -0.627133D+01 -0.713232D+00 -0.731132D+00  0.713994D-01 -0.129781D-01
               136           137           138           139           140 
      1  -0.245922D+00  0.147264D-01 -0.202762D+01 -0.129038D+00  0.479379D+00
      2   0.538524D+00  0.852194D+00  0.223336D+01  0.666121D+00  0.254117D+01
      3  -0.106566D+01 -0.352483D+01 -0.521054D+00 -0.183494D+01 -0.130369D+02
               141           142           143           144           145 
      1  -0.423969D+01  0.578173D+00  0.198702D+01 -0.567595D+00 -0.112224D+00
      2   0.367107D+01 -0.607128D+00 -0.153461D+00  0.646865D+00  0.186403D+01
      3  -0.217968D+01 -0.292458D+00 -0.250799D+01 -0.275635D+00  0.334297D+00
               146           147           148           149           150 
      1   0.435059D+00 -0.223872D+00  0.202848D+00 -0.189708D-01 -0.351003D+00
      2  -0.128114D+00  0.677500D+01  0.125495D+01  0.328605D+00  0.398865D+00
      3  -0.560773D+01  0.226865D+00 -0.367365D+01 -0.223855D+00 -0.367692D+00
               151           152           153           154           155 
      1   0.332107D-01  0.568093D+00  0.730007D-02  0.246125D+00 -0.610959D+00
      2  -0.271841D+01  0.437385D-01  0.584962D+00  0.267442D+00 -0.321018D+00
      3  -0.119604D+01 -0.546297D+00 -0.253204D+00  0.124717D+01 -0.481448D+01
               156           157           158           159           160 
      1   0.219791D+01  0.250224D+00  0.231280D+00 -0.383158D+01 -0.856667D+00
      2   0.249553D+01  0.455208D+00 -0.953505D+00 -0.343138D+01 -0.805867D+00
      3  -0.381733D-01 -0.291643D+01  0.121438D+02  0.101983D+01 -0.603874D+00
               161           162           163           164           165 
      1   0.164667D+01 -0.299634D+00  0.757154D+00  0.391982D+00 -0.168806D+01
      2   0.552952D+00 -0.347247D+00 -0.160047D+01 -0.880324D+00  0.166555D+00
      3   0.193403D+01  0.268411D+00  0.789673D+01  0.419166D+01  0.664723D+00
               166           167           168           169           170 
      1   0.708510D+00  0.101326D+01 -0.383150D+01  0.378996D+00  0.237832D+01
      2  -0.166494D+01 -0.160125D+01  0.385937D+00 -0.191415D+01 -0.529464D+00
      3   0.808643D+01  0.794403D+01  0.180895D+01  0.150188D+01  0.237178D+01
               171           172           173           174           175 
      1  -0.516913D+00  0.175872D+01  0.660583D+00  0.189370D+01  0.102470D+01
      2   0.172321D+00 -0.162780D+01 -0.147047D+00  0.529024D+01  0.799645D+00
      3   0.282027D+00 -0.131112D+02 -0.399197D+01 -0.201428D+01  0.420293D+00
               176           177           178           179           180 
      1   0.237846D+00 -0.750428D-02  0.624195D+00  0.731322D+00  0.790198D-01
      2  -0.674094D-01  0.196890D+00  0.336601D+00 -0.947023D+00  0.137505D+01
      3   0.561021D-01 -0.109002D+01 -0.609478D+01 -0.182196D+01  0.196747D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.208179D+01  0.223908D+02  0.478720D+01 -0.250889D+02  0.667146D+01
      2  -0.423947D+01 -0.131973D+02  0.331238D+00  0.247507D+02 -0.113465D+02
      3   0.215768D+01 -0.919347D+01 -0.511843D+01  0.338148D+00  0.467506D+01
      4   0.187026D+02  0.254535D+01  0.469355D+01  0.656606D+01  0.119703D+02
      5   0.526001D+00  0.432305D+01  0.426485D+01 -0.292206D+01  0.753422D+01
      6   0.241956D+01 -0.255729D+01 -0.652534D+01  0.620576D+01 -0.545784D+01
                 6             7             8             9            10 
      1   0.138402D+01 -0.765753D+01  0.618494D+01  0.287349D+00  0.865212D+01
      2  -0.138303D+01  0.858859D+01 -0.840001D+01 -0.698222D+01 -0.685566D+01
      3  -0.992487D-03 -0.931059D+00  0.221507D+01  0.669487D+01 -0.179646D+01
      4   0.826219D+01  0.228361D+01  0.701290D+01 -0.147445D+02 -0.118237D+02
      5  -0.118804D+02  0.187104D+02 -0.148440D+02 -0.769838D+01 -0.549515D+00
      6   0.593449D+01 -0.732316D+01  0.132808D+02 -0.444117D+00 -0.276585D+01
                11            12            13            14            15 
      1  -0.134163D+02  0.353484D-01  0.253635D+01  0.713340D+01  0.462314D+01
      2   0.100493D+02 -0.154217D+01 -0.907030D+01 -0.993870D+01 -0.563744D+01
      3   0.336702D+01  0.150682D+01  0.653395D+01  0.280530D+01  0.101429D+01
      4  -0.169043D+02 -0.422270D+01  0.107850D+02 -0.124578D+02 -0.154807D+01
      5  -0.411974D+01 -0.414759D+01  0.100583D+01 -0.169198D+01 -0.106268D+01
      6  -0.241801D+01  0.526488D+01 -0.471168D+01 -0.861936D+01  0.314700D+01
                16            17            18            19            20 
      1   0.216389D+01  0.135512D+01 -0.154713D+02 -0.221270D+02 -0.332158D+00
      2  -0.405638D+01 -0.672768D+01  0.750017D+00  0.756616D+01  0.608595D+00
      3   0.189248D+01  0.537257D+01  0.147213D+02  0.145609D+02 -0.276438D+00
      4   0.207397D+00 -0.392459D+01 -0.599208D+01  0.124454D+02  0.204647D+01
      5  -0.140944D+00 -0.529928D+01 -0.554249D+01  0.110876D+01  0.672633D+00
      6   0.333785D+01  0.118587D+02  0.425730D+01 -0.825835D+00 -0.226179D+00
                21            22            23            24            25 
      1   0.690719D+00  0.204159D+00 -0.638758D+01  0.408322D+00 -0.844049D+01
      2  -0.905407D+00 -0.149921D+01  0.124987D+02  0.352903D+01  0.203431D+01
      3   0.214689D+00  0.129505D+01 -0.611114D+01 -0.393735D+01  0.640618D+01
      4   0.110184D+01 -0.885636D+01 -0.293377D+01 -0.148038D+01 -0.284796D+01
      5  -0.111103D+01 -0.334851D+01 -0.737910D+00  0.168513D+01  0.347063D+01
      6   0.544039D-01 -0.239121D+01  0.219869D+01 -0.261626D+01 -0.122515D+01
                26            27            28            29            30 
      1  -0.922155D+00 -0.931553D+01  0.625512D+01  0.158909D+02  0.503207D+01
      2   0.154743D+01 -0.325843D+01 -0.569943D+01 -0.110389D+02 -0.117479D+01
      3  -0.625276D+00  0.125740D+02 -0.555694D+00 -0.485196D+01 -0.385727D+01
      4  -0.335567D+01  0.252088D+01  0.683012D+01 -0.106489D+02 -0.524033D-01
      5   0.194687D+01 -0.511538D+00  0.175603D+01 -0.217436D+00 -0.126907D+01
      6   0.555983D+01 -0.250029D+01  0.285640D+01 -0.272649D+01 -0.618538D+01
                31            32            33            34            35 
      1  -0.125626D+01  0.223186D+01  0.222033D+01  0.668101D-01  0.329901D+01
      2   0.978144D+01 -0.651120D+01 -0.195436D+01  0.239333D+01 -0.511797D+01
      3  -0.852517D+01  0.427934D+01 -0.265969D+00 -0.246014D+01  0.181896D+01
      4   0.411277D+01  0.137769D+02  0.184232D+01  0.582086D+00 -0.196281D+01
      5   0.138801D+01  0.165687D+01  0.472501D+00  0.344924D+01  0.376070D+01
      6   0.507221D+01 -0.304150D+01  0.597165D+01 -0.245111D+01  0.135179D+02
                36            37            38            39            40 
      1  -0.148235D+02  0.286069D+01 -0.211481D+02 -0.228052D+01  0.244732D+02
      2   0.241485D+01 -0.246149D+01  0.135173D+02  0.945468D+00 -0.234196D+02
      3   0.124086D+02 -0.399197D+00  0.763079D+01  0.133505D+01 -0.105362D+01
      4   0.338551D+01 -0.125044D+02 -0.535121D+01 -0.478746D+01  0.743841D+01
      5  -0.121495D+01 -0.408255D+01 -0.460584D+01 -0.197129D+01 -0.950831D+00
      6   0.541934D+00 -0.518902D+01 -0.205809D+01  0.445362D+01 -0.496282D+01
                41            42            43            44            45 
      1   0.104648D+02  0.192574D+01  0.220504D+01 -0.295747D+01 -0.487569D+01
      2  -0.144223D+02 -0.569586D+01 -0.608938D+01 -0.469655D+01 -0.524610D+01
      3   0.395749D+01  0.377012D+01  0.388434D+01  0.765402D+01  0.101218D+02
      4  -0.445081D+01 -0.576443D+01 -0.518698D+01 -0.931538D+01  0.148986D+02
      5  -0.573571D+01  0.124326D+02  0.141050D+02  0.152123D+02  0.729194D+01
      6  -0.876288D+01  0.531419D+01  0.603283D+01  0.141666D+02  0.339894D+01
                46            47            48            49            50 
      1  -0.959473D+01 -0.810229D+00 -0.701925D+01  0.413363D+01 -0.208445D+02
      2   0.537784D+01  0.692867D+00  0.382131D+01 -0.250144D+01  0.187054D+02
      3   0.421689D+01  0.117362D+00  0.319795D+01 -0.163219D+01  0.213913D+01
      4  -0.123060D+01  0.231333D+02  0.410639D+00 -0.212548D+02 -0.641253D+01
      5  -0.853715D+01  0.268536D+00  0.185464D+02 -0.102646D+02 -0.263745D+01
      6   0.700507D+00  0.746202D+00  0.130564D+01 -0.264868D+01  0.377094D+01
                51            52            53            54            55 
      1  -0.602570D+01 -0.856245D+01 -0.655244D+01  0.138359D+02  0.160706D+02
      2   0.887531D+01  0.293563D+01  0.512635D+01 -0.178966D+02 -0.623741D+01
      3  -0.284961D+01  0.562682D+01  0.142610D+01  0.406069D+01 -0.983316D+01
      4  -0.339210D+01 -0.113184D+02  0.733170D+00 -0.536133D+00 -0.692075D+01
      5  -0.117714D+01  0.357782D+02  0.112700D+00  0.582448D+01 -0.115195D+01
      6  -0.513204D+01  0.193942D+00  0.597661D+01 -0.386783D+01  0.482850D+00
                56            57            58            59            60 
      1  -0.255699D+00 -0.206037D+00  0.163547D+01 -0.609239D+01 -0.327370D-01
      2   0.373286D+01  0.177087D+00  0.511107D+01  0.270438D+01 -0.502737D+00
      3  -0.347716D+01  0.289499D-01 -0.674655D+01  0.338801D+01  0.535474D+00
      4  -0.180590D+02  0.556395D+01 -0.273516D+02 -0.256177D+01  0.235556D+01
      5   0.617064D+01 -0.118088D+02  0.866751D+01  0.122880D+01 -0.159037D+02
      6   0.855372D+00 -0.668492D+00  0.388779D+01  0.722858D+01 -0.113556D+02
                61            62            63            64            65 
      1   0.109590D+02  0.682871D+01 -0.555271D+00 -0.374808D+02  0.629257D+01
      2   0.304884D+01  0.962386D+00  0.873437D+01  0.233302D+02 -0.752568D+01
      3  -0.140078D+02 -0.779110D+01 -0.817910D+01  0.141506D+02  0.123311D+01
      4   0.114193D+02  0.119343D+02 -0.216948D+02  0.863994D+01  0.130930D+02
      5  -0.181082D+02 -0.199521D+02 -0.207485D+02 -0.116761D+02 -0.590724D+01
      6  -0.109427D+02 -0.313754D+01 -0.586769D+01  0.227267D+01  0.433654D+01
                66            67            68            69            70 
      1  -0.105996D+02  0.438284D+00 -0.262381D+01 -0.140594D+01 -0.100247D+02
      2   0.711649D+01 -0.426813D+01  0.156671D+02 -0.339388D+00  0.784670D+01
      3   0.348314D+01  0.382984D+01 -0.130432D+02  0.174532D+01  0.217803D+01
      4  -0.473574D+01  0.184231D+02 -0.160173D+02  0.738892D+01 -0.729035D+01
      5   0.559245D+01 -0.117096D+02  0.681557D+01  0.961547D+01  0.328947D+01
      6  -0.248556D+01  0.302196D+01 -0.848942D+01  0.221009D+01  0.226923D+01
                71            72            73            74            75 
      1   0.367748D+00 -0.101567D+01 -0.539918D+02 -0.165956D+02 -0.185347D+01
      2  -0.737897D+00 -0.742271D+01  0.222691D+02  0.152650D+02  0.379158D+01
      3   0.370149D+00  0.843838D+01  0.317227D+02  0.133062D+01 -0.193811D+01
      4   0.756150D+01  0.796281D+01 -0.190861D+02  0.154912D+02 -0.650455D+01
      5   0.748748D+01  0.222468D+02 -0.233363D+01 -0.389497D+01  0.105996D+02
      6  -0.943853D+00 -0.160327D+02 -0.449657D+01 -0.531635D+01  0.383923D+01
                76            77            78            79            80 
      1  -0.775655D+01  0.194209D+02  0.275840D+01 -0.110581D+02 -0.163289D-01
      2   0.705664D+01 -0.220606D+02  0.620288D+01  0.472296D+01  0.258489D+01
      3   0.699912D+00  0.263966D+01 -0.896128D+01  0.633516D+01 -0.256856D+01
      4   0.186644D+02 -0.695952D+01 -0.352689D+01 -0.150028D+02 -0.101717D+02
      5  -0.869327D+01 -0.632786D+01  0.145185D+02  0.134316D+02  0.163591D+02
      6  -0.553900D+01 -0.438185D+01  0.837758D+01  0.765237D+01  0.828949D+01
                81            82            83            84            85 
      1   0.116733D+02  0.115223D+01 -0.306655D+01 -0.184311D+01 -0.574534D+01
      2   0.871197D+01 -0.240632D+00  0.760875D+00  0.455696D-01  0.183408D+01
      3  -0.203853D+02 -0.911596D+00  0.230567D+01  0.179754D+01  0.391126D+01
      4   0.196750D+02 -0.329767D+01  0.755157D+00  0.265547D+01  0.680279D+01
      5   0.168125D+02 -0.216408D+01  0.201196D+01 -0.419820D+00  0.477494D+01
      6   0.637099D+00  0.152043D+01 -0.116410D+01  0.873894D+00 -0.262774D+01
                86            87            88            89            90 
      1  -0.318429D+01  0.741949D+00 -0.804664D+01 -0.126256D+01 -0.558904D+01
      2   0.457567D+01  0.161124D+01  0.361239D+01  0.302325D+01  0.211948D+01
      3  -0.139138D+01 -0.235319D+01  0.443425D+01 -0.176069D+01  0.346956D+01
      4  -0.108240D+02 -0.579964D+01  0.908750D+01 -0.125898D+02 -0.122977D+02
      5  -0.483504D+01 -0.138769D+02  0.717567D+01 -0.125293D+02 -0.233425D+02
      6   0.417579D+01  0.113415D+02 -0.375718D+01  0.107068D+02  0.156483D+02
                91            92            93            94            95 
      1   0.521115D+01  0.126788D+01  0.402108D+01  0.980697D+00 -0.258715D+01
      2  -0.644193D+01 -0.121285D+01 -0.418418D+01 -0.246548D+01 -0.149487D+00
      3   0.123078D+01 -0.550291D-01  0.163099D+00  0.148478D+01  0.273663D+01
      4   0.427060D+01  0.715455D+01  0.227743D+01  0.992974D+01  0.608933D+01
      5   0.906365D+01  0.237252D+01  0.124338D+02  0.356719D+01  0.595907D+01
      6   0.293456D+01  0.410173D-01  0.173257D+01  0.194214D+01  0.443765D+01
                96            97            98            99           100 
      1  -0.271834D+01  0.314596D+01 -0.327554D+01 -0.104957D+02  0.366032D+01
      2  -0.681672D+00 -0.871627D+01 -0.226972D+01 -0.143509D+02 -0.369247D+01
      3   0.340001D+01  0.557031D+01  0.554526D+01  0.248466D+02  0.321500D-01
      4   0.630265D+01  0.329993D+01  0.719079D+01  0.914641D+01  0.131067D+01
      5   0.944662D+01  0.183191D+02  0.869581D+01  0.308111D+02 -0.228084D+01
      6   0.968165D+01  0.475846D+01  0.693599D+01  0.111690D+02  0.852209D-01
               101           102           103           104           105 
      1   0.180049D+01 -0.600919D+01 -0.219178D+01 -0.401065D+01 -0.229012D+01
      2  -0.183950D+01  0.495853D+00  0.204950D+01  0.970681D+00 -0.566006D+01
      3   0.390143D-01  0.551333D+01  0.142283D+00  0.303997D+01  0.795018D+01
      4  -0.177505D+01 -0.448045D+00 -0.308086D+00 -0.268916D+01 -0.436361D+01
      5   0.770164D+00  0.208843D+00  0.418437D+01 -0.319568D+01 -0.981709D+01
      6   0.175401D+01 -0.132295D+01  0.370196D-01  0.207962D+01  0.285187D+01
               106           107           108           109           110 
      1  -0.644503D+01 -0.142748D+00 -0.166332D+02 -0.247978D+01  0.928286D+01
      2   0.444969D+01 -0.412208D+01 -0.168983D+02  0.475073D+01 -0.106596D+02
      3   0.199534D+01  0.426482D+01  0.335315D+02 -0.227095D+01  0.137669D+01
      4  -0.288798D+01 -0.730437D+01 -0.444713D+01  0.421609D+00 -0.414843D+01
      5   0.800774D+01 -0.218217D+01 -0.299339D+02  0.205662D+01  0.956514D-01
      6   0.812027D+00  0.427883D+01 -0.938842D+01  0.226133D+00  0.261230D+01
               111           112           113           114           115 
      1  -0.673199D+00  0.102668D+02 -0.266691D+02  0.258746D+01  0.151647D+01
      2  -0.217441D+00 -0.767124D+01  0.402573D+02 -0.125163D+01 -0.831593D+00
      3   0.890641D+00 -0.259559D+01 -0.135882D+02 -0.133583D+01 -0.684879D+00
      4   0.165667D+01  0.452637D+01  0.310081D+02 -0.316580D+01  0.232969D+01
      5  -0.232186D+01 -0.321963D+01 -0.986574D+00  0.461995D+01  0.216103D+00
      6  -0.274988D+01  0.632837D+00 -0.874993D+01  0.704908D+01 -0.157349D+01
               116           117           118           119           120 
      1   0.101235D+01 -0.530297D+01  0.781753D+02  0.108584D+02  0.234991D+01
      2   0.452436D+00  0.268536D+01 -0.366837D+02 -0.201464D+01  0.514907D+00
      3  -0.146479D+01  0.261761D+01 -0.414916D+02 -0.884377D+01 -0.286482D+01
      4   0.149397D+01  0.123776D+01  0.335071D+02  0.173033D+02 -0.224107D+00
      5   0.185190D+01 -0.123324D+01 -0.934450D+01 -0.204334D+01  0.112806D+02
      6   0.644040D+01 -0.110625D+01 -0.594612D+00 -0.171563D+01  0.399523D+01
               121           122           123           124           125 
      1   0.222059D+01  0.460192D+01  0.246454D+00  0.102316D+02  0.766842D+00
      2   0.160832D+01  0.100524D+01 -0.535256D+00 -0.438172D+01  0.357664D+00
      3  -0.382891D+01 -0.560715D+01  0.288802D+00 -0.584988D+01 -0.112451D+01
      4   0.124328D+02  0.769872D+01  0.392913D+00  0.448675D+01  0.384670D+01
      5   0.301228D+00 -0.239202D+00 -0.416810D+00  0.952454D+01  0.736782D+00
      6  -0.989625D+00 -0.530080D+00  0.940770D+00  0.316347D+01  0.102922D+01
               126           127           128           129           130 
      1   0.530302D+01 -0.337238D+01  0.647905D+01  0.116499D+01  0.731454D+01
      2  -0.502861D+01  0.549983D+01 -0.933728D+01 -0.883320D+00 -0.102113D+02
      3  -0.274409D+00 -0.212745D+01  0.285823D+01 -0.281672D+00  0.289676D+01
      4   0.155122D+01 -0.791007D+01  0.581715D+01  0.728573D+00  0.696549D+01
      5   0.196458D+00 -0.476459D-01  0.107885D+01  0.402060D+00  0.914760D+00
      6   0.521434D+00 -0.733102D+00 -0.498973D+00 -0.151433D+01 -0.823425D+00
               131           132           133           134           135 
      1  -0.241342D+02 -0.222634D+01  0.374730D+00 -0.141140D+01 -0.677750D+00
      2   0.325985D+02  0.173431D+01 -0.832484D+00  0.204734D+01  0.134596D+01
      3  -0.846431D+01  0.492031D+00  0.457754D+00 -0.635940D+00 -0.668214D+00
      4  -0.582276D+01 -0.386150D+00  0.373680D-01 -0.118422D+00 -0.133554D+01
      5  -0.901338D+00 -0.101802D+01  0.790732D+00 -0.712882D+00 -0.213783D+00
      6   0.258293D+01  0.567026D+01 -0.656375D+00  0.182447D+01  0.242183D+00
               136           137           138           139           140 
      1   0.873592D+01  0.640314D+01  0.111074D+01  0.165836D+01 -0.103014D+02
      2   0.181800D+01  0.444562D+01  0.839620D-01  0.102204D+02  0.312084D+02
      3  -0.105539D+02 -0.108488D+02 -0.119471D+01 -0.118788D+02 -0.209070D+02
      4   0.225782D+02  0.256969D+02  0.516947D+01  0.279051D+02  0.472154D+02
      5   0.479282D+01  0.492068D+01  0.551394D+01  0.521890D+01  0.789963D+01
      6   0.353647D+01  0.400976D+01  0.334044D+01  0.498920D+01  0.102928D+02
               141           142           143           144           145 
      1  -0.213941D+01  0.110879D+01 -0.124562D+01 -0.963569D+00  0.999696D+02
      2   0.366364D+01  0.141634D+01  0.495937D+01  0.188447D+01 -0.575055D+02
      3  -0.152422D+01 -0.252513D+01 -0.371375D+01 -0.920898D+00 -0.424640D+02
      4   0.849171D+01  0.690289D+01  0.101653D+02  0.334283D+01  0.407004D+01
      5   0.644190D+01  0.243961D+01  0.267739D+01  0.217006D+01  0.119482D+02
      6   0.844167D+01  0.212584D+01  0.392264D+01  0.276970D+01 -0.193166D+01
               146           147           148           149           150 
      1   0.279290D+01  0.788444D+01  0.168990D+01  0.909102D+01  0.131671D+01
      2  -0.134992D+01 -0.554823D+01 -0.775063D+00 -0.443969D+01 -0.120631D+01
      3  -0.144298D+01 -0.233621D+01 -0.914835D+00 -0.465133D+01 -0.110404D+00
      4   0.931562D+01  0.521178D-01  0.147029D+02  0.118111D+01  0.131591D+01
      5   0.774323D-01  0.117461D+02  0.265928D+01  0.136226D+01  0.687509D+00
      6   0.593120D+00  0.101939D-01  0.994699D+00 -0.150723D+00  0.164225D+01
               151           152           153           154           155 
      1   0.105591D+02  0.154930D+01  0.326764D+01  0.158036D+02 -0.100373D+02
      2  -0.626558D+01 -0.101038D+01 -0.207360D+01 -0.815553D+00 -0.350563D+01
      3  -0.429352D+01 -0.538921D+00 -0.119404D+01 -0.149881D+02  0.135429D+02
      4   0.278731D+01  0.120639D+01  0.561338D+00 -0.287220D+02  0.293379D+02
      5   0.307368D+01  0.362743D+00  0.208259D+01 -0.364487D+01  0.262523D+01
      6   0.628710D-01  0.724445D+00  0.362244D+00  0.119939D+01 -0.100080D+01
               156           157           158           159           160 
      1  -0.138673D+01 -0.614053D+01 -0.191775D+01 -0.600946D-01  0.382735D+00
      2   0.400375D+00 -0.841318D+01  0.232420D+02  0.107949D+01 -0.147613D+01
      3   0.986352D+00  0.145537D+02 -0.213242D+02 -0.101940D+01  0.109340D+01
      4   0.239204D+01  0.324346D+02 -0.467700D+02 -0.536675D+01  0.312079D+01
      5   0.537531D+01  0.465901D+01 -0.606348D+01 -0.596874D+01  0.198383D+01
      6  -0.303739D+01 -0.296994D+01  0.459132D+01  0.655712D+01 -0.137722D+01
               161           162           163           164           165 
      1  -0.123617D+01 -0.481762D+00 -0.480213D+01 -0.746062D+01 -0.292638D+01
      2   0.311577D+01  0.127216D+01  0.586123D+01  0.872614D+01  0.180816D+01
      3  -0.187960D+01 -0.790399D+00 -0.105911D+01 -0.126553D+01  0.111822D+01
      4  -0.514306D+01 -0.254149D+01  0.524467D+01  0.657316D+01  0.119902D+01
      5  -0.165835D+01 -0.849065D+00  0.381148D+00  0.863735D+00  0.153824D+01
      6   0.240770D+01  0.138767D+01  0.242441D+01  0.402663D+01  0.279073D+01
               166           167           168           169           170 
      1  -0.786346D+01 -0.280476D+02 -0.730086D+01 -0.226376D+01 -0.627840D+01
      2   0.965505D+01  0.355964D+02  0.617799D+01  0.240004D+01  0.716296D+01
      3  -0.179159D+01 -0.754883D+01  0.112287D+01 -0.136280D+00 -0.884565D+00
      4   0.611847D+01  0.180643D+01 -0.324401D-01  0.168258D+01  0.903056D+00
      5   0.589735D+00 -0.661436D+00  0.274356D+00  0.121913D+01  0.553356D+00
      6   0.309330D+01  0.112666D+02  0.835081D+01  0.126032D+01  0.445084D+01
               171           172           173           174           175 
      1  -0.292098D+01  0.679542D+02 -0.916440D+01  0.106983D+02 -0.209526D+01
      2   0.270376D+01 -0.369668D+02  0.329674D+01 -0.656508D+01 -0.600334D+00
      3   0.217215D+00 -0.309874D+02  0.586766D+01 -0.413318D+01  0.269559D+01
      4   0.181161D+01 -0.256467D+02  0.116520D+02 -0.295481D+01  0.701338D+01
      5   0.102646D+01  0.164125D+02 -0.149154D+01  0.111560D+02  0.317773D+01
      6   0.316448D+01 -0.412194D+01  0.706967D+00 -0.317150D+01  0.201425D-01
               176           177           178           179           180 
      1   0.183284D+01  0.333970D+01  0.182960D+02  0.128950D+01  0.434885D+01
      2   0.543042D+00 -0.273154D+01 -0.122879D+02 -0.904855D+00 -0.387077D+01
      3  -0.237589D+01 -0.608159D+00 -0.600809D+01 -0.384643D+00 -0.478086D+00
      4  -0.196802D+01  0.707022D+00 -0.369265D+01  0.183771D+01 -0.250469D+01
      5   0.155725D+01  0.926923D+00  0.103149D+02 -0.170006D+01  0.505874D+01
      6  -0.470365D+00  0.123066D+01 -0.148383D+01  0.173840D+01 -0.921960D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.579935D+00      0.147405D+01      0.491689D+01
   x         -0.448079D+00     -0.113890D+01     -0.379898D+01
   y         -0.269225D+00     -0.684303D+00     -0.228259D+01
   z          0.251131D+00      0.638311D+00      0.212918D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993087D+02      0.147160D+02      0.163738D+02
   aniso      0.531002D+02      0.786864D+01      0.875505D+01
   xx         0.126730D+03      0.187794D+02      0.208949D+02
   yx         0.903546D+00      0.133892D+00      0.148975D+00
   yy         0.104140D+03      0.154319D+02      0.171703D+02
   zx         0.281518D+01      0.417167D+00      0.464160D+00
   zy         0.483741D+01      0.716830D+00      0.797581D+00
   zz         0.670564D+02      0.993673D+01      0.110561D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.108562D+03      0.160873D+02      0.178995D+02
   aniso      0.542289D+02      0.803589D+01      0.894114D+01
   xx         0.137050D+03      0.203088D+02      0.225966D+02
   yx         0.878971D+00      0.130250D+00      0.144923D+00
   yy         0.113028D+03      0.167491D+02      0.186358D+02
   zx         0.223294D+01      0.330887D+00      0.368162D+00
   zy         0.397096D+01      0.588436D+00      0.654723D+00
   zz         0.756087D+02      0.112040D+02      0.124662D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.53607466         -2.91565787         -2.07048292
     6          0.80927742         -2.47769656         -0.14723813
     6         -0.41786881         -0.15140609          0.08040782
     6          0.12047473          1.71930472         -1.68994411
     6          1.86242815          1.29147708         -3.61325982
     6          3.08052437         -1.02221775         -3.81064219
     6         -2.28067951          0.26781541          2.22650307
     7         -3.53850372          2.72350695          2.00979222
     6         -1.00691239         -0.12238757          4.80789847
     1         -2.31712068          4.13597487          2.45183943
     1         -3.76994216         -1.15498740          2.02586317
     1          0.49266060          1.27239073          5.07259673
     1         -0.16500461         -1.99494953          4.98796836
     1         -2.38650853          0.10758568          6.32565263
     1         -0.86785450          3.50307433         -1.59509886
     1          2.25297917          2.77345077         -4.96906539
     1          4.42973347         -1.35680704         -5.31103090
     1          3.45534572         -4.73780743         -2.21482921
     1          0.39850037         -3.97621185          1.18553158
     1         -4.97315233          2.82834855          3.27258364

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.579935D+00      0.147405D+01      0.491689D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.579935D+00      0.147405D+01      0.491689D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993087D+02      0.147160D+02      0.163738D+02
   aniso      0.531002D+02      0.786864D+01      0.875505D+01
   xx         0.900945D+02      0.133506D+02      0.148546D+02
   yx        -0.132642D+02     -0.196555D+01     -0.218697D+01
   yy         0.100341D+03      0.148689D+02      0.165439D+02
   zx        -0.258890D+02     -0.383636D+01     -0.426853D+01
   zy        -0.415201D+01     -0.615264D+00     -0.684573D+00
   zz         0.107491D+03      0.159285D+02      0.177229D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.108562D+03      0.160873D+02      0.178995D+02
   aniso      0.542289D+02      0.803589D+01      0.894114D+01
   xx         0.990871D+02      0.146832D+02      0.163373D+02
   yx        -0.141208D+02     -0.209248D+01     -0.232820D+01
   yy         0.108708D+03      0.161089D+02      0.179236D+02
   zx        -0.260400D+02     -0.385873D+01     -0.429342D+01
   zy        -0.378940D+01     -0.561531D+00     -0.624788D+00
   zz         0.117892D+03      0.174698D+02      0.194377D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U23-36\Freq\RLC-PBEPBE\Gen\C8H11N1\PIERPA\16-Aug-2021\0\\
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=028200000
 0,3/108=0282000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )\\ROA calculations.\\0,1\C,2.015699,-1.138132,-0.153815\C,0.638227,-1
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 sion=ES64L-G16RevA.03\State=1-A\HF=-366.3988941\RMSD=4.514e-09\RMSF=8.
 194e-06\ZeroPoint=0.1736624\Thermal=0.1821417\Dipole=-0.4480794,-0.269
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 3\\\@


 IT IS NOT EASY TO DESCRIBE
     THE SEA WITH THE MOUTH

                   -- KOKYU
 Job cpu time:       0 days  3 hours 56 minutes 43.8 seconds.
 Elapsed time:       0 days  0 hours 29 minutes 40.6 seconds.
 File lengths (MBytes):  RWF=    259 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 21:51:48 2021.
